2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole

C5H7F3N2 — CID 162534644

IUPAC2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole
SMILESFC(F)(F)CN1CC=CN1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-2,9H,3-4H2
InChIKeyJBHCSEWSKANRRM-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.88
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole

2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole (PubChem CID 162534644) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole
PubChem CID162534644
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole
SMILESFC(F)(F)CN1CC=CN1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-2,9H,3-4H2
InChIKeyJBHCSEWSKANRRM-UHFFFAOYSA-N
XLogP0.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole 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-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole (CID 162534644) is 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole is FC(F)(F)CN1CC=CN1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole?
The InChIKey is JBHCSEWSKANRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-2,9H,3-4H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole?
2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole has a molecular weight of 152.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,3-dihydropyrazole is sourced from PubChem (CID 162534644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).