cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone

C18H19F3N2O — CID 58955844

IUPACcyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone
SMILESCn1nc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O/c1-23-16(18(19,20)21)11-15(22-23)12-7-9-14(10-8-12)17(24)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3
InChIKeyPQQDGBMEVVODIB-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.87
Rot. Bonds3

About cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone

cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone (PubChem CID 58955844) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone
PubChem CID58955844
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Namecyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone
SMILESCn1nc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O/c1-23-16(18(19,20)21)11-15(22-23)12-7-9-14(10-8-12)17(24)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3
InChIKeyPQQDGBMEVVODIB-UHFFFAOYSA-N
XLogP4.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone?
The IUPAC name of cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone (CID 58955844) is cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone.
What is the SMILES notation for cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone?
The canonical SMILES for cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone is Cn1nc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1C(F)(F)F.
What is the InChIKey of cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone?
The InChIKey is PQQDGBMEVVODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-23-16(18(19,20)21)11-15(22-23)12-7-9-14(10-8-12)17(24)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3.
What are the key properties of cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone?
cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone has a molecular weight of 336.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone is sourced from PubChem (CID 58955844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).