N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

C16H13ClN4O — CID 90908320

IUPACN-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H13ClN4O/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16(22)19-13-4-2-1-3-12(13)18/h1-9H,18H2,(H,19,22)(H,20,21)
InChIKeyCHDNDLKJDSOABO-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.56
Rot. Bonds3

About N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 90908320) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID90908320
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H13ClN4O/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16(22)19-13-4-2-1-3-12(13)18/h1-9H,18H2,(H,19,22)(H,20,21)
InChIKeyCHDNDLKJDSOABO-UHFFFAOYSA-N
XLogP3.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-3-(4-chlorophenyl)-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-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 56580879
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 12544472

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 90908320) is N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is Nc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CHDNDLKJDSOABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16(22)19-13-4-2-1-3-12(13)18/h1-9H,18H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90908320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).