N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide

C15H11ClN4O — CID 115683266

IUPACN-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H11ClN4O/c16-13-7-4-8-14(18-13)19-15(21)11-9-17-20(10-11)12-5-2-1-3-6-12/h1-10H,(H,18,19,21)
InChIKeyAYCWIILTHXZTQZ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.17
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide

N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 115683266) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
PubChem CID115683266
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H11ClN4O/c16-13-7-4-8-14(18-13)19-15(21)11-9-17-20(10-11)12-5-2-1-3-6-12/h1-10H,(H,18,19,21)
InChIKeyAYCWIILTHXZTQZ-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-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-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
CID 104819812
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide (CID 115683266) is N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1cccc(Cl)n1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is AYCWIILTHXZTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-13-7-4-8-14(18-13)19-15(21)11-9-17-20(10-11)12-5-2-1-3-6-12/h1-10H,(H,18,19,21).
What are the key properties of N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 115683266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).