4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid

C12H11N3O3 — CID 43565594

IUPAC4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H11N3O3/c1-7-2-3-8(12(17)18)4-10(7)15-11(16)9-5-13-14-6-9/h2-6H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyWTPZMQFAOGDEID-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.67
Rot. Bonds3

About 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid

4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid (PubChem CID 43565594) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
PubChem CID43565594
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H11N3O3/c1-7-2-3-8(12(17)18)4-10(7)15-11(16)9-5-13-14-6-9/h2-6H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyWTPZMQFAOGDEID-UHFFFAOYSA-N
XLogP1.67
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-nitro-4-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 60846126
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
2-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 61259573
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid (CID 43565594) is 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1cn[nH]c1.
What is the InChIKey of 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid?
The InChIKey is WTPZMQFAOGDEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-2-3-8(12(17)18)4-10(7)15-11(16)9-5-13-14-6-9/h2-6H,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid?
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid has a molecular weight of 245.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid is sourced from PubChem (CID 43565594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).