2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid

C7H7ClF2N2O2 — CID 1229759

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)O
InChIInChI=1S/C7H7ClF2N2O2/c1-3-5(8)6(7(9)10)11-12(3)2-4(13)14/h7H,2H2,1H3,(H,13,14)
InChIKeyPIZCTIAZNNVZBR-UHFFFAOYSA-N
MW224.59 g/mol
LogP1.87
Rot. Bonds3

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid (PubChem CID 1229759) has the molecular formula C7H7ClF2N2O2 and a molecular weight of 224.59 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid
PubChem CID1229759
Molecular FormulaC7H7ClF2N2O2
Molecular Weight224.59 g/mol
Exact Mass224.02
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)O
InChIInChI=1S/C7H7ClF2N2O2/c1-3-5(8)6(7(9)10)11-12(3)2-4(13)14/h7H,2H2,1H3,(H,13,14)
InChIKeyPIZCTIAZNNVZBR-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.59
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-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-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid (CID 1229759) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid is Cc1c(Cl)c(C(F)F)nn1CC(=O)O.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is PIZCTIAZNNVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2/c1-3-5(8)6(7(9)10)11-12(3)2-4(13)14/h7H,2H2,1H3,(H,13,14).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 224.59 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 1229759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).