2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide

C16H13ClN4O — CID 167757416

IUPAC2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1Cl
InChIInChI=1S/C16H13ClN4O/c1-10-4-2-6-12(15(10)17)16(22)19-14-8-13(20-21-14)11-5-3-7-18-9-11/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyTUDUCXHTMVUZDD-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide

2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 167757416) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide
PubChem CID167757416
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1Cl
InChIInChI=1S/C16H13ClN4O/c1-10-4-2-6-12(15(10)17)16(22)19-14-8-13(20-21-14)11-5-3-7-18-9-11/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyTUDUCXHTMVUZDD-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

Analyze 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide 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-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide (CID 167757416) is 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is TUDUCXHTMVUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-4-2-6-12(15(10)17)16(22)19-14-8-13(20-21-14)11-5-3-7-18-9-11/h2-9H,1H3,(H2,19,20,21,22).
What are the key properties of 2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide?
2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide 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-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 167757416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).