4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide

C17H14ClN3O — CID 24983126

IUPAC4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c1-21-16(11-15(20-21)12-5-3-2-4-6-12)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyCTUVCHPVEMBWAG-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.99
Rot. Bonds3

About 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide

4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide (PubChem CID 24983126) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
PubChem CID24983126
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c1-21-16(11-15(20-21)12-5-3-2-4-6-12)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyCTUVCHPVEMBWAG-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-methyl-3-phenylpyrazol-5-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

N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
2-(4-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983718
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide (CID 24983126) is 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide is Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
The InChIKey is CTUVCHPVEMBWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-21-16(11-15(20-21)12-5-3-2-4-6-12)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22).
What are the key properties of 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide has a molecular weight of 311.77 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 24983126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).