1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid

C12H10N4O5 — CID 19406253

IUPAC1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)O
InChIInChI=1S/C12H10N4O5/c1-15-10(12(18)19)9(6-13-15)14-11(17)7-2-4-8(5-3-7)16(20)21/h2-6H,1H3,(H,14,17)(H,18,19)
InChIKeyAXTFKLCYFAUTLQ-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.28
Rot. Bonds4

About 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid

1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid (PubChem CID 19406253) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
PubChem CID19406253
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)O
InChIInChI=1S/C12H10N4O5/c1-15-10(12(18)19)9(6-13-15)14-11(17)7-2-4-8(5-3-7)16(20)21/h2-6H,1H3,(H,14,17)(H,18,19)
InChIKeyAXTFKLCYFAUTLQ-UHFFFAOYSA-N
XLogP1.28
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid 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-[(3,5-dinitrobenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406015
N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
1-methyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazole-5-carboxylic acid
CID 19405975
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
N-(2-cyano-4-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478539
4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 692973
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(4-methyl-3-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19336553
methyl 4-[(4-chloro-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342342
4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid (CID 19406253) is 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid is Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid?
The InChIKey is AXTFKLCYFAUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c1-15-10(12(18)19)9(6-13-15)14-11(17)7-2-4-8(5-3-7)16(20)21/h2-6H,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid?
1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19406253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).