Type:
Small moleculeAlogP:
0.04Polar Surface Area:
75.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA394441Name:
5-(3-Chloro-benzyl)-1H-pyrazole-3-carboxylic acidCas Number:
595610-55-2Mol. Formula:
C11H9ClN2O2M.W.:
236.66Type:
Small moleculeAlogP:
2.35Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA247317Name:
5-Benzyl-1H-pyrazole-3-carboxylic acidCas Number:
595610-51-8Mol. Formula:
C11H10N2O2M.W.:
202.21Type:
Small moleculeAlogP:
1.70Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA397785Name:
5-Phenyl-1H-pyrazole-3-carboxylic acidCas Number:
5071-61-4Mol. Formula:
C10H8N2O2M.W.:
188.19Type:
Small moleculeAlogP:
1.77Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA428730Name:
5-Butyl-1H-pyrazole-3-carboxylic acidCas Number:
92933-48-7Mol. Formula:
C8H12N2O2M.W.:
168.20Type:
Small moleculeAlogP:
1.45Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS- ALA238002
Name:
5-Isopropyl-1H-pyrazole-3-carboxylic acidCas Number:
92933-47-6Mol. Formula:
C7H10N2O2M.W.:
154.17Type:
Small moleculeAlogP:
1.23Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA237788
Name:
5-Propyl-1H-pyrazole-3-carboxylic acidCas Number:
76424-47-0Mol. Formula:
C7H10N2O2M.W.:
154.17Type:
Small moleculeAlogP:
1.06Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA128679
Name:
1H-Pyrazole-3-carboxylic acidCas Number:
1621-91-6Mol. Formula:
C4H4N2O2M.W.:
112.09Type:
Small moleculeAlogP:
0.11Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA338405
Name:
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acidCas Number:
6076-13-7Mol. Formula:
C8H10N2O2M.W.:
166.18Type:
Small moleculeAlogP:
0.99Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
0.60Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA129261
Name:
5-(4-Chloro-phenyl)-1H-pyrazole-3-carboxylic acidCas Number:
54006-63-2Mol. Formula:
C10H7ClN2O2M.W.:
222.63Type:
Small moleculeAlogP:
2.43Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA341154
Name:
5-p-Tolyl-1H-pyrazole-3-carboxylic acidCas Number:
46413-67-6Mol. Formula:
C11H10N2O2M.W.:
202.21Type:
Small moleculeAlogP:
2.08Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
0.14Polar Surface Area:
75.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA338017
Name:
5-(3-Chloro-phenyl)-1H-pyrazole-3-carboxylic acidCas Number:
595610-50-7Mol. Formula:
C10H7ClN2O2M.W.:
222.63Type:
Small moleculeAlogP:
2.43Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA341520
Name:
5-(4-Chloro-benzyl)-1H-pyrazole-3-carboxylic acidCas Number:
595610-52-9Mol. Formula:
C11H9ClN2O2M.W.:
236.66Type:
Small moleculeAlogP:
2.35Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA128949
Name:
5-(4-Methyl-benzyl)-1H-pyrazole-3-carboxylic acidMol. Formula:
C12H12N2O2M.W.:
216.24Type:
Small moleculeAlogP:
2.01Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA127387
Name:
5-(4-Methoxy-benzyl)-1H-pyrazole-3-carboxylic acidMol. Formula:
C12H12N2O3M.W.:
232.24Type:
Small moleculeAlogP:
1.71Polar Surface Area:
75.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA129385
Name:
5-Phenethyl-1H-pyrazole-3-carboxylic acidCas Number:
595610-56-3Mol. Formula:
C12H12N2O2M.W.:
216.24Type:
Small moleculeAlogP:
1.89Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA129326
Name:
5-(3-Phenyl-propyl)-1H-pyrazole-3-carboxylic acidMol. Formula:
C13H14N2O2M.W.:
230.27Type:
Small moleculeAlogP:
2.28Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS
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