3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole

C13H13F3N2O — CID 130222447

IUPAC3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C13H13F3N2O/c1-8-9(2)17-18(10(8)3)11-4-6-12(7-5-11)19-13(14,15)16/h4-7H,1-3H3
InChIKeyIZEBDJVEANCDCU-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.70
Rot. Bonds2

About 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole

3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 130222447) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID130222447
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C13H13F3N2O/c1-8-9(2)17-18(10(8)3)11-4-6-12(7-5-11)19-13(14,15)16/h4-7H,1-3H3
InChIKeyIZEBDJVEANCDCU-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]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 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole (CID 130222447) is 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole is Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is IZEBDJVEANCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-9(2)17-18(10(8)3)11-4-6-12(7-5-11)19-13(14,15)16/h4-7H,1-3H3.
What are the key properties of 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 270.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 130222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).