3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C12H10N4O5 — CID 64528072

IUPAC3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H10N4O5/c1-6-4-7(16(20)21)2-3-8(6)11(17)13-10-5-9(12(18)19)14-15-10/h2-5H,1H3,(H,18,19)(H2,13,14,15,17)
InChIKeyGQABDNROMWFHEY-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.58
Rot. Bonds4

About 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528072) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528072
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H10N4O5/c1-6-4-7(16(20)21)2-3-8(6)11(17)13-10-5-9(12(18)19)14-15-10/h2-5H,1H3,(H,18,19)(H2,13,14,15,17)
InChIKeyGQABDNROMWFHEY-UHFFFAOYSA-N
XLogP1.58
TPSA138.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528441
N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
CID 104820032
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528655
2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
2-methyl-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716363
2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 63818883
2-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47935004
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
CID 104783753
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64528072) is 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GQABDNROMWFHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c1-6-4-7(16(20)21)2-3-8(6)11(17)13-10-5-9(12(18)19)14-15-10/h2-5H,1H3,(H,18,19)(H2,13,14,15,17).
What are the key properties of 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).