3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid

C13H13N3O4 — CID 64528429

IUPAC3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H13N3O4/c1-20-9-4-2-8(3-5-9)6-12(17)14-11-7-10(13(18)19)15-16-11/h2-5,7H,6H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyUKECJVZILRPGOA-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.30
Rot. Bonds5

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

3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528429) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528429
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H13N3O4/c1-20-9-4-2-8(3-5-9)6-12(17)14-11-7-10(13(18)19)15-16-11/h2-5,7H,6H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyUKECJVZILRPGOA-UHFFFAOYSA-N
XLogP1.30
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528831
3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529225
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
CID 45485638
3-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxylic acid
CID 68632314
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
N-(1H-imidazo[4,5-b]pyridin-6-yl)-2-(4-methoxyphenyl)acetamide
CID 110866894
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64528429) is 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is COc1ccc(CC(=O)Nc2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UKECJVZILRPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-20-9-4-2-8(3-5-9)6-12(17)14-11-7-10(13(18)19)15-16-11/h2-5,7H,6H2,1H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).