4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole

C13H19F3N2 — CID 122532998

IUPAC4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole
SMILESCCc1cn(C2CCC(C(F)(F)F)CC2)nc1C
InChIInChI=1S/C13H19F3N2/c1-3-10-8-18(17-9(10)2)12-6-4-11(5-7-12)13(14,15)16/h8,11-12H,3-7H2,1-2H3
InChIKeyPYXMCUZVUNCFDU-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds2

About 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole

4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole (PubChem CID 122532998) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole.

Molecular Properties

Compound Name4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole
PubChem CID122532998
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole
SMILESCCc1cn(C2CCC(C(F)(F)F)CC2)nc1C
InChIInChI=1S/C13H19F3N2/c1-3-10-8-18(17-9(10)2)12-6-4-11(5-7-12)13(14,15)16/h8,11-12H,3-7H2,1-2H3
InChIKeyPYXMCUZVUNCFDU-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]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-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
The IUPAC name of 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole (CID 122532998) is 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole.
What is the SMILES notation for 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
The canonical SMILES for 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole is CCc1cn(C2CCC(C(F)(F)F)CC2)nc1C.
What is the InChIKey of 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
The InChIKey is PYXMCUZVUNCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-10-8-18(17-9(10)2)12-6-4-11(5-7-12)13(14,15)16/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole?
4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole has a molecular weight of 260.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazole is sourced from PubChem (CID 122532998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).