3-chloro-N-(1H-pyrazol-4-yl)benzamide

C10H8ClN3O — CID 43429419

IUPAC3-chloro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h1-6H,(H,12,13)(H,14,15)
InChIKeyTVQBFEQXWVYNOY-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.32
Rot. Bonds2

About 3-chloro-N-(1H-pyrazol-4-yl)benzamide

3-chloro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429419) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-chloro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429419
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-chloro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h1-6H,(H,12,13)(H,14,15)
InChIKeyTVQBFEQXWVYNOY-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(1H-pyrazol-4-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

Related Compounds

3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
CID 62591368
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429540
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(1H-pyrazol-4-yl)benzamide (CID 43429419) is 3-chloro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is TVQBFEQXWVYNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h1-6H,(H,12,13)(H,14,15).
What are the key properties of 3-chloro-N-(1H-pyrazol-4-yl)benzamide?
3-chloro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 221.65 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).