1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole

C6H4F6N2O — CID 58841915

IUPAC1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C6H4F6N2O/c1-14-4(15-6(10,11)12)2-3(13-14)5(7,8)9/h2H,1H3
InChIKeyVZFWJTSJKUBAIF-UHFFFAOYSA-N
MW234.10 g/mol
LogP2.34
Rot. Bonds1

About 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole

1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole (PubChem CID 58841915) has the molecular formula C6H4F6N2O and a molecular weight of 234.10 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
PubChem CID58841915
Molecular FormulaC6H4F6N2O
Molecular Weight234.10 g/mol
Exact Mass234.02
IUPAC Name1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C6H4F6N2O/c1-14-4(15-6(10,11)12)2-3(13-14)5(7,8)9/h2H,1H3
InChIKeyVZFWJTSJKUBAIF-UHFFFAOYSA-N
XLogP2.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(trifluoromethoxy)-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 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole (CID 58841915) is 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
The InChIKey is VZFWJTSJKUBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2O/c1-14-4(15-6(10,11)12)2-3(13-14)5(7,8)9/h2H,1H3.
What are the key properties of 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole has a molecular weight of 234.10 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 58841915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).