2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

C16H13ClN4O — CID 118716966

IUPAC2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cccnc3Cl)n[nH]2)cc1
InChIInChI=1S/C16H13ClN4O/c1-10-4-6-11(7-5-10)13-9-14(21-20-13)19-16(22)12-3-2-8-18-15(12)17/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyFLCJCTHOUIYEBO-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 118716966) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID118716966
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cccnc3Cl)n[nH]2)cc1
InChIInChI=1S/C16H13ClN4O/c1-10-4-6-11(7-5-10)13-9-14(21-20-13)19-16(22)12-3-2-8-18-15(12)17/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyFLCJCTHOUIYEBO-UHFFFAOYSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 118716966) is 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cccnc3Cl)n[nH]2)cc1.
What is the InChIKey of 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is FLCJCTHOUIYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-4-6-11(7-5-10)13-9-14(21-20-13)19-16(22)12-3-2-8-18-15(12)17/h2-9H,1H3,(H2,19,20,21,22).
What are the key properties of 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118716966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).