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

C13H12FN3O4 — CID 64526690

IUPAC3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C(=O)O)[nH]n2)cc1F
InChIInChI=1S/C13H12FN3O4/c1-21-10-3-2-7(4-8(10)14)5-12(18)15-11-6-9(13(19)20)16-17-11/h2-4,6H,5H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyVTBYZQRDVGTESK-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.44
Rot. Bonds5

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

3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526690) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526690
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C(=O)O)[nH]n2)cc1F
InChIInChI=1S/C13H12FN3O4/c1-21-10-3-2-7(4-8(10)14)5-12(18)15-11-6-9(13(19)20)16-17-11/h2-4,6H,5H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyVTBYZQRDVGTESK-UHFFFAOYSA-N
XLogP1.44
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 115610032
2-(3-fluoro-4-methoxyphenyl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 86912777
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 39166458
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 24649985
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64526690) is 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is COc1ccc(CC(=O)Nc2cc(C(=O)O)[nH]n2)cc1F.
What is the InChIKey of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is VTBYZQRDVGTESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c1-21-10-3-2-7(4-8(10)14)5-12(18)15-11-6-9(13(19)20)16-17-11/h2-4,6H,5H2,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 293.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).