1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid

C10H6F2N2O2 — CID 28974725

IUPAC1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2c(F)cccc2F)n1
InChIInChI=1S/C10H6F2N2O2/c11-6-2-1-3-7(12)9(6)14-5-4-8(13-14)10(15)16/h1-5H,(H,15,16)
InChIKeyIHKPPGXEMNAVMC-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.85
Rot. Bonds2

About 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid

1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 28974725) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid
PubChem CID28974725
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2c(F)cccc2F)n1
InChIInChI=1S/C10H6F2N2O2/c11-6-2-1-3-7(12)9(6)14-5-4-8(13-14)10(15)16/h1-5H,(H,15,16)
InChIKeyIHKPPGXEMNAVMC-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid (CID 28974725) is 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2c(F)cccc2F)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is IHKPPGXEMNAVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-2-1-3-7(12)9(6)14-5-4-8(13-14)10(15)16/h1-5H,(H,15,16).
What are the key properties of 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid?
1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 224.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 28974725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).