3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole

C8H9F3N2 — CID 25248681

IUPAC3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1ccc(C2CC2)n1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)5-13-4-3-7(12-13)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyPYTDDFWDRFTXQK-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.32
Rot. Bonds2

About 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole

3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 25248681) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID25248681
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1ccc(C2CC2)n1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)5-13-4-3-7(12-13)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyPYTDDFWDRFTXQK-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole 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 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 25248681) is 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1ccc(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is PYTDDFWDRFTXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)5-13-4-3-7(12-13)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole?
3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 25248681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).