4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide

C12H11ClN4O2 — CID 4862680

IUPAC4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C12H11ClN4O2/c1-17-10(11(14)18)9(6-15-17)16-12(19)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,18)(H,16,19)
InChIKeyZCKACKXRXNVHIV-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.42
Rot. Bonds3

About 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide

4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4862680) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
PubChem CID4862680
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C12H11ClN4O2/c1-17-10(11(14)18)9(6-15-17)16-12(19)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,18)(H,16,19)
InChIKeyZCKACKXRXNVHIV-UHFFFAOYSA-N
XLogP1.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-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

4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
CID 70069811
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049
4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 4767722
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862758

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide (CID 4862680) is 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is ZCKACKXRXNVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-17-10(11(14)18)9(6-15-17)16-12(19)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,18)(H,16,19).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4862680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).