4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid

C13H13N3O4 — CID 110467173

IUPAC4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C13H13N3O4/c1-16-11(5-6-14-16)12(17)15-10-7-8(20-2)3-4-9(10)13(18)19/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyQWOJBTOPICWKMF-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.38
Rot. Bonds4

About 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid

4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid (PubChem CID 110467173) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
PubChem CID110467173
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C13H13N3O4/c1-16-11(5-6-14-16)12(17)15-10-7-8(20-2)3-4-9(10)13(18)19/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyQWOJBTOPICWKMF-UHFFFAOYSA-N
XLogP1.38
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 55178289
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
4-methoxy-2-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467377
4-methoxy-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]benzoic acid
CID 115412327
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110507
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789
4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 115411987
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
4-methoxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115411071

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid (CID 110467173) is 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)c2ccnn2C)c1.
What is the InChIKey of 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
The InChIKey is QWOJBTOPICWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-16-11(5-6-14-16)12(17)15-10-7-8(20-2)3-4-9(10)13(18)19/h3-7H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 110467173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).