N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide

C15H11ClN4O — CID 99833805

IUPACN-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccn1)c1cccnc1
InChIInChI=1S/C15H11ClN4O/c16-12-4-5-13(14(9-12)20-8-2-7-18-20)19-15(21)11-3-1-6-17-10-11/h1-10H,(H,19,21)
InChIKeyYYVJNZBEFCQNDU-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.17
Rot. Bonds3

About N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide

N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 99833805) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide
PubChem CID99833805
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccn1)c1cccnc1
InChIInChI=1S/C15H11ClN4O/c16-12-4-5-13(14(9-12)20-8-2-7-18-20)19-15(21)11-3-1-6-17-10-11/h1-10H,(H,19,21)
InChIKeyYYVJNZBEFCQNDU-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

Analyze N-(4-chloro-2-pyrazol-1-ylphenyl)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 N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide (CID 99833805) is N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1-n1cccn1)c1cccnc1.
What is the InChIKey of N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is YYVJNZBEFCQNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-4-5-13(14(9-12)20-8-2-7-18-20)19-15(21)11-3-1-6-17-10-11/h1-10H,(H,19,21).
What are the key properties of N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide?
N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-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-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 99833805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).