1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole

C7H7F3N2O — CID 18461116

IUPAC1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CO2)n1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(11-6)3-5-4-13-5/h1-2,5H,3-4H2
InChIKeySSUGCPVAMJMNAL-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.30
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole

1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 18461116) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID18461116
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CO2)n1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(11-6)3-5-4-13-5/h1-2,5H,3-4H2
InChIKeySSUGCPVAMJMNAL-UHFFFAOYSA-N
XLogP1.30
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 2064143
CID 2064143
CID 19616490
CID 19616490
CID 83828147
CID 83828147
CID 2809229
CID 2809229
CID 7017770
CID 7017770
CID 19616955
CID 19616955
CID 22958930
CID 22958930
CID 23149202
CID 23149202
CID 43411989
CID 43411989
CID 45157284
CID 45157284
CID 50896565
CID 50896565
CID 61631899
CID 61631899

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 18461116) is 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CC2CO2)n1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is SSUGCPVAMJMNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(11-6)3-5-4-13-5/h1-2,5H,3-4H2.
What are the key properties of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 192.14 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 18461116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).