4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole

C9H11F3N2O — CID 145361104

IUPAC4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cn(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-4-14(7-2-3-15-5-7)13-8(6)9(10,11)12/h4,7H,2-3,5H2,1H3
InChIKeyQUCDZHDMEYVXMH-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.17
Rot. Bonds1

About 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole

4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 145361104) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole
PubChem CID145361104
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cn(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-4-14(7-2-3-15-5-7)13-8(6)9(10,11)12/h4,7H,2-3,5H2,1H3
InChIKeyQUCDZHDMEYVXMH-UHFFFAOYSA-N
XLogP2.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(oxolan-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole (CID 145361104) is 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole is Cc1cn(C2CCOC2)nc1C(F)(F)F.
What is the InChIKey of 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is QUCDZHDMEYVXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-4-14(7-2-3-15-5-7)13-8(6)9(10,11)12/h4,7H,2-3,5H2,1H3.
What are the key properties of 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole?
4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 145361104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).