5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole

C12H7ClF6N2 — CID 81254924

IUPAC5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1c(C(F)(F)F)nn(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C12H7ClF6N2/c1-6-9(12(17,18)19)20-21(10(6)13)8-4-2-7(3-5-8)11(14,15)16/h2-5H,1H3
InChIKeyKARCNVYDUKHFMD-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.87
Rot. Bonds1

About 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole

5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 81254924) has the molecular formula C12H7ClF6N2 and a molecular weight of 328.64 g/mol. Its IUPAC name is 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID81254924
Molecular FormulaC12H7ClF6N2
Molecular Weight328.64 g/mol
Exact Mass328.02
IUPAC Name5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1c(C(F)(F)F)nn(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C12H7ClF6N2/c1-6-9(12(17,18)19)20-21(10(6)13)8-4-2-7(3-5-8)11(14,15)16/h2-5H,1H3
InChIKeyKARCNVYDUKHFMD-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)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 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 81254924) is 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole is Cc1c(C(F)(F)F)nn(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is KARCNVYDUKHFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF6N2/c1-6-9(12(17,18)19)20-21(10(6)13)8-4-2-7(3-5-8)11(14,15)16/h2-5H,1H3.
What are the key properties of 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 328.64 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 81254924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).