3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C11H7F2N3O3 — CID 64523704

IUPAC3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7F2N3O3/c12-6-2-1-5(3-7(6)13)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17)
InChIKeyMKOMXFRTBMGHGZ-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.64
Rot. Bonds3

About 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64523704) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64523704
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC Name3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7F2N3O3/c12-6-2-1-5(3-7(6)13)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17)
InChIKeyMKOMXFRTBMGHGZ-UHFFFAOYSA-N
XLogP1.64
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
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-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
3-[(3-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528441
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64523704) is 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is MKOMXFRTBMGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-6-2-1-5(3-7(6)13)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 267.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64523704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).