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

C10H11F3N2O — CID 59556136

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one
SMILESO=C1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-5-6-15(14-9)7-1-3-8(16)4-2-7/h5-7H,1-4H2
InChIKeyNSFUAXUYLKWYBA-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.59
Rot. Bonds1

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

4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one (PubChem CID 59556136) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one
PubChem CID59556136
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one
SMILESO=C1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-5-6-15(14-9)7-1-3-8(16)4-2-7/h5-7H,1-4H2
InChIKeyNSFUAXUYLKWYBA-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one (CID 59556136) is 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one is O=C1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one?
The InChIKey is NSFUAXUYLKWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-5-6-15(14-9)7-1-3-8(16)4-2-7/h5-7H,1-4H2.
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one?
4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one has a molecular weight of 232.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-one is sourced from PubChem (CID 59556136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).