4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one

C11H13F3N2O — CID 168907313

IUPAC4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
SMILESCn1nc(C(F)(F)F)cc1C1CCC(=O)CC1
InChIInChI=1S/C11H13F3N2O/c1-16-9(6-10(15-16)11(12,13)14)7-2-4-8(17)5-3-7/h6-7H,2-5H2,1H3
InChIKeyDXDLBMWMHNUGIM-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.67
Rot. Bonds1

About 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one

4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one (PubChem CID 168907313) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
PubChem CID168907313
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
SMILESCn1nc(C(F)(F)F)cc1C1CCC(=O)CC1
InChIInChI=1S/C11H13F3N2O/c1-16-9(6-10(15-16)11(12,13)14)7-2-4-8(17)5-3-7/h6-7H,2-5H2,1H3
InChIKeyDXDLBMWMHNUGIM-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one 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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one (CID 168907313) is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one is Cn1nc(C(F)(F)F)cc1C1CCC(=O)CC1.
What is the InChIKey of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
The InChIKey is DXDLBMWMHNUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16-9(6-10(15-16)11(12,13)14)7-2-4-8(17)5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one has a molecular weight of 246.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 168907313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).