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

C12H11FN4O2 — CID 4867279

IUPAC4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C12H11FN4O2/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)
InChIKeyVNMZKXCMJFVTJQ-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.91
Rot. Bonds3

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

4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4867279) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
PubChem CID4867279
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C12H11FN4O2/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)
InChIKeyVNMZKXCMJFVTJQ-UHFFFAOYSA-N
XLogP0.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorobenzoyl)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-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
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
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
methyl 4-[[4-[(4-fluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342220
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768469
1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
CID 166188378

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide (CID 4867279) is 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2ccc(F)cc2)c1C(N)=O.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is VNMZKXCMJFVTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/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-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4867279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).