4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C11H7F2N3O3 — CID 59733371

IUPAC4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C11H7F2N3O3/c12-5-2-1-3-6(13)8(5)10(17)15-7-4-14-16-9(7)11(18)19/h1-4H,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGDKWIFWOHXMZBS-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.64
Rot. Bonds3

About 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 59733371) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID59733371
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C11H7F2N3O3/c12-5-2-1-3-6(13)8(5)10(17)15-7-4-14-16-9(7)11(18)19/h1-4H,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGDKWIFWOHXMZBS-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 59733371) is 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GDKWIFWOHXMZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-5-2-1-3-6(13)8(5)10(17)15-7-4-14-16-9(7)11(18)19/h1-4H,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
4-[(2,6-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 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 59733371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).