1-benzyl-3-(3-chloroanilino)pyrazol-4-ol

C16H14ClN3O — CID 57138760

IUPAC1-benzyl-3-(3-chloroanilino)pyrazol-4-ol
SMILESOc1cn(Cc2ccccc2)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c17-13-7-4-8-14(9-13)18-16-15(21)11-20(19-16)10-12-5-2-1-3-6-12/h1-9,11,21H,10H2,(H,18,19)
InChIKeyWBTZSHQRCGEHKS-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.03
Rot. Bonds4

About 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol

1-benzyl-3-(3-chloroanilino)pyrazol-4-ol (PubChem CID 57138760) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol.

Molecular Properties

Compound Name1-benzyl-3-(3-chloroanilino)pyrazol-4-ol
PubChem CID57138760
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-benzyl-3-(3-chloroanilino)pyrazol-4-ol
SMILESOc1cn(Cc2ccccc2)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c17-13-7-4-8-14(9-13)18-16-15(21)11-20(19-16)10-12-5-2-1-3-6-12/h1-9,11,21H,10H2,(H,18,19)
InChIKeyWBTZSHQRCGEHKS-UHFFFAOYSA-N
XLogP4.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine
CID 69189312
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
1-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-3-(3-chlorophenyl)urea
CID 46238208
1-(1-benzyl-4-chloropyrazol-3-yl)-3-phenylthiourea
CID 19399488
2-[1-benzyl-4-chloro-3-(3-chloroanilino)pyrazolo[5,4-d]pyrimidin-6-yl]ethanol
CID 57224684
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-phenylthiourea
CID 19401206
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
CID 8972812
1-benzyl-4-(3-chlorophenoxy)-N-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-3-amine
CID 10600115
1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19344144
9-benzyl-N-(3-chlorophenyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
CID 10834181
1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
CID 143458745

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol?
The IUPAC name of 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol (CID 57138760) is 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol.
What is the SMILES notation for 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol?
The canonical SMILES for 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol is Oc1cn(Cc2ccccc2)nc1Nc1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol?
The InChIKey is WBTZSHQRCGEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-7-4-8-14(9-13)18-16-15(21)11-20(19-16)10-12-5-2-1-3-6-12/h1-9,11,21H,10H2,(H,18,19).
What are the key properties of 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol?
1-benzyl-3-(3-chloroanilino)pyrazol-4-ol has a molecular weight of 299.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-chloroanilino)pyrazol-4-ol is sourced from PubChem (CID 57138760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).