N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide

C13H13ClN4O2 — CID 75538051

IUPACN-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(C)c2Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-8(19)16-9-3-5-10(6-4-9)17-13(20)11-7-15-18(2)12(11)14/h3-7H,1-2H3,(H,16,19)(H,17,20)
InChIKeyQEQWDXQLCYKDFJ-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.28
Rot. Bonds3

About N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide

N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide (PubChem CID 75538051) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
PubChem CID75538051
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(C)c2Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-8(19)16-9-3-5-10(6-4-9)17-13(20)11-7-15-18(2)12(11)14/h3-7H,1-2H3,(H,16,19)(H,17,20)
InChIKeyQEQWDXQLCYKDFJ-UHFFFAOYSA-N
XLogP2.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide 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

5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
CID 143051989
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
N-(4-acetylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053385
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 123777570
5-[(4-acetamidophenyl)sulfanylmethyl]-1-methylpyrazole-4-carboxylic acid
CID 116629893
N-(4-chlorophenyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728008

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide (CID 75538051) is N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnn(C)c2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide?
The InChIKey is QEQWDXQLCYKDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8(19)16-9-3-5-10(6-4-9)17-13(20)11-7-15-18(2)12(11)14/h3-7H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide?
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75538051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).