ALA503030Name:
5,6-dihydro-1H-furo[3,2-c]pyrazole-3-carboxylic acidMol. Formula:
C6H6N2O3M.W.:
154.12Type:
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 acidMol. 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
Type:
Small moleculeAlogP:
1.70Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
3-Phenylpyrazole-5-carboxylic AcidName:
5-Phenyl-1H-pyrazole-3-carboxylic acidMol. 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
Type:
Small moleculeAlogP:
1.45Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS- 3-Isopropylpyrazole-5-carboxylic acid
Name:
5-Isopropyl-1H-pyrazole-3-carboxylic acidMol. 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 - 3-Propyl-1H-pyrazole-5-carboxylic acid
Name:
5-Propyl-1H-pyrazole-3-carboxylic acidMol. 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 -
Type:
Small moleculeAlogP:
0.11Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - 4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
Name:
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acidMol. 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 - Cyclopentapyrazole-3-carboxylic acid
Name:
1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acidMol. Formula:
C7H8N2O2M.W.:
152.15Type:
Small moleculeAlogP:
0.60Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS - 5-(4-Chlorophenyl)-1h-pyrazole-3-carboxylic acid
Name:
5-(4-Chloro-phenyl)-1H-pyrazole-3-carboxylic acidMol. 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 -
Type:
Small moleculeAlogP:
2.08Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA338071
Name:
4,6-Dihydro-1H-furo[3,4-c]pyrazole-3-carboxylic acidMol. Formula:
C6H6N2O3M.W.:
154.12Type:
Small moleculeAlogP:
0.14Polar Surface Area:
75.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS - 5-(3-Chlorophenyl)-1h-pyrazole-3-carboxylic acid
Name:
5-(3-Chloro-phenyl)-1H-pyrazole-3-carboxylic acidMol. 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 acidMol. 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 -
Type:
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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