2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate

C9H9F2N2O2- — CID 7017067

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
SMILESO=C([O-])Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C9H10F2N2O2/c10-9(11)6-3-7(5-1-2-5)13(12-6)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)/p-1
InChIKeyKFYMLAWTVBTSLH-UHFFFAOYSA-M
MW215.18 g/mol
LogP0.45
Rot. Bonds4

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate (PubChem CID 7017067) has the molecular formula C9H9F2N2O2- and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
PubChem CID7017067
Molecular FormulaC9H9F2N2O2-
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
SMILESO=C([O-])Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C9H10F2N2O2/c10-9(11)6-3-7(5-1-2-5)13(12-6)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)/p-1
InChIKeyKFYMLAWTVBTSLH-UHFFFAOYSA-M
XLogP0.45
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate 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-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate (CID 7017067) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate is O=C([O-])Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is KFYMLAWTVBTSLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10F2N2O2/c10-9(11)6-3-7(5-1-2-5)13(12-6)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)/p-1.
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 215.18 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 7017067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).