3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C11H7F2N3O3 — CID 64526287

IUPAC3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C11H7F2N3O3/c12-5-1-2-7(13)6(3-5)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17)
InChIKeyGOTBPSJKCBQEOA-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.64
Rot. Bonds3

About 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526287) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526287
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC Name3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C11H7F2N3O3/c12-5-1-2-7(13)6(3-5)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17)
InChIKeyGOTBPSJKCBQEOA-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-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528655
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
benzamide;3-[(2-chloro-3-fluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 174542145
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64526287) is 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)c2cc(F)ccc2F)n[nH]1.
What is the InChIKey of 3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GOTBPSJKCBQEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-5-1-2-7(13)6(3-5)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-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2,5-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-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).