3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide

C16H13ClN4O2 — CID 137183398

IUPAC3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Nc3ccc(Cl)cc3)cc2O)n[nH]1
InChIInChI=1S/C16H13ClN4O2/c17-9-1-3-10(4-2-9)19-11-5-6-12(15(22)7-11)13-8-14(16(18)23)21-20-13/h1-8,19,22H,(H2,18,23)(H,20,21)
InChIKeyZKDLDRXFSUJURP-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.28
Rot. Bonds4

About 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide

3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 137183398) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide
PubChem CID137183398
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Nc3ccc(Cl)cc3)cc2O)n[nH]1
InChIInChI=1S/C16H13ClN4O2/c17-9-1-3-10(4-2-9)19-11-5-6-12(15(22)7-11)13-8-14(16(18)23)21-20-13/h1-8,19,22H,(H2,18,23)(H,20,21)
InChIKeyZKDLDRXFSUJURP-UHFFFAOYSA-N
XLogP3.28
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 2039042
N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
N-(3-chloro-4-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 2040201
N-[4-(acetylamino)phenyl]-5-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1970330
5-(5-chloro-2-hydroxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 1832400
N-(3-chloro-2-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1847235
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1830061
5-(5-chloro-2-hydroxyphenyl)-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1855339
3-(5-chloro-2-hydroxyphenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 1972703
N-(2,5-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 2034999

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide (CID 137183398) is 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2ccc(Nc3ccc(Cl)cc3)cc2O)n[nH]1.
What is the InChIKey of 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZKDLDRXFSUJURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-9-1-3-10(4-2-9)19-11-5-6-12(15(22)7-11)13-8-14(16(18)23)21-20-13/h1-8,19,22H,(H2,18,23)(H,20,21).
What are the key properties of 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide?
3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chloroanilino)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137183398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).