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

C13H13N3O3 — CID 64528831

IUPAC3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccccc1CC(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H13N3O3/c1-8-4-2-3-5-9(8)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)
InChIKeyMPCUMIHZPYTSDM-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.60
Rot. Bonds4

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

3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528831) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528831
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccccc1CC(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H13N3O3/c1-8-4-2-3-5-9(8)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)
InChIKeyMPCUMIHZPYTSDM-UHFFFAOYSA-N
XLogP1.60
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
6-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 63641670
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
3-[[2-(2-phenylethylsulfanyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528841
3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527660
3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64523902
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64528256
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64528831) is 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is Cc1ccccc1CC(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is MPCUMIHZPYTSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-4-2-3-5-9(8)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-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).