2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid

C6H6F2N2O2 — CID 66509397

IUPAC2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(C(F)F)n1
InChIInChI=1S/C6H6F2N2O2/c7-6(8)10-2-1-4(9-10)3-5(11)12/h1-2,6H,3H2,(H,11,12)
InChIKeyJXKUYTZHQZEUKY-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.91
Rot. Bonds3

About 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid

2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid (PubChem CID 66509397) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid
PubChem CID66509397
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(C(F)F)n1
InChIInChI=1S/C6H6F2N2O2/c7-6(8)10-2-1-4(9-10)3-5(11)12/h1-2,6H,3H2,(H,11,12)
InChIKeyJXKUYTZHQZEUKY-UHFFFAOYSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid (CID 66509397) is 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid is O=C(O)Cc1ccn(C(F)F)n1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid?
The InChIKey is JXKUYTZHQZEUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-6(8)10-2-1-4(9-10)3-5(11)12/h1-2,6H,3H2,(H,11,12).
What are the key properties of 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid?
2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid has a molecular weight of 176.12 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 66509397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).