4-chloro-N-(1-methylpyrazol-3-yl)benzamide

C11H10ClN3O — CID 16619202

IUPAC4-chloro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c1-15-7-6-10(14-15)13-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,16)
InChIKeyYKGHLQCWXWYYGF-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-N-(1-methylpyrazol-3-yl)benzamide

4-chloro-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 16619202) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID16619202
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c1-15-7-6-10(14-15)13-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,16)
InChIKeyYKGHLQCWXWYYGF-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-methylpyrazol-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 4-chloro-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-methylpyrazol-3-yl)benzamide (CID 16619202) is 4-chloro-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is YKGHLQCWXWYYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-15-7-6-10(14-15)13-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,16).
What are the key properties of 4-chloro-N-(1-methylpyrazol-3-yl)benzamide?
4-chloro-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 235.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 16619202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).