3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C12H10FN3O4 — CID 64527065

IUPAC3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1F
InChIInChI=1S/C12H10FN3O4/c1-20-9-3-2-6(4-7(9)13)11(17)14-10-5-8(12(18)19)15-16-10/h2-5H,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDDWBAXPKNFTIOK-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.51
Rot. Bonds4

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

3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527065) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527065
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1F
InChIInChI=1S/C12H10FN3O4/c1-20-9-3-2-6(4-7(9)13)11(17)14-10-5-8(12(18)19)15-16-10/h2-5H,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDDWBAXPKNFTIOK-UHFFFAOYSA-N
XLogP1.51
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
CID 104964229
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
3-[(3-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528441
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64527065) is 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is COc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is DDWBAXPKNFTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c1-20-9-3-2-6(4-7(9)13)11(17)14-10-5-8(12(18)19)15-16-10/h2-5H,1H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 279.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).