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

C13H15F3N2O — CID 168906990

IUPAC4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
SMILESO=C1CCC(c2cc(C(F)(F)F)nn2C2CC2)CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12-7-11(18(17-12)9-3-4-9)8-1-5-10(19)6-2-8/h7-9H,1-6H2
InChIKeyUJRLSVDKZOEPQZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.46
Rot. Bonds2

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

4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one (PubChem CID 168906990) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
PubChem CID168906990
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
SMILESO=C1CCC(c2cc(C(F)(F)F)nn2C2CC2)CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12-7-11(18(17-12)9-3-4-9)8-1-5-10(19)6-2-8/h7-9H,1-6H2
InChIKeyUJRLSVDKZOEPQZ-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one (CID 168906990) is 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one is O=C1CCC(c2cc(C(F)(F)F)nn2C2CC2)CC1.
What is the InChIKey of 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
The InChIKey is UJRLSVDKZOEPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12-7-11(18(17-12)9-3-4-9)8-1-5-10(19)6-2-8/h7-9H,1-6H2.
What are the key properties of 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one?
4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one has a molecular weight of 272.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 168906990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).