2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide

C12H12ClN3O — CID 3741602

IUPAC2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,17)
InChIKeyXVFATBUWZUYFCL-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide

2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 3741602) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID3741602
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,17)
InChIKeyXVFATBUWZUYFCL-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
CID 61209522
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethoxybenzamide
CID 35291192
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-chlorobenzamide
CID 2381036
5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide
CID 75767511
2-chloro-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604575
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
CID 52548004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 3741602) is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccccc2Cl)n(C)n1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is XVFATBUWZUYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,17).
What are the key properties of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 249.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 3741602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).