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

C18H21F3N2O — CID 66777288

IUPACcyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H21F3N2O/c1-12-16(17(24)13-5-3-2-4-6-13)11-23(22-12)15-9-7-14(8-10-15)18(19,20)21/h7-11,13,17,24H,2-6H2,1H3
InChIKeyJMCFVGLRQWMIOA-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.81
Rot. Bonds3

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

cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 66777288) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID66777288
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Namecyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H21F3N2O/c1-12-16(17(24)13-5-3-2-4-6-13)11-23(22-12)15-9-7-14(8-10-15)18(19,20)21/h7-11,13,17,24H,2-6H2,1H3
InChIKeyJMCFVGLRQWMIOA-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 66777288) is cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is Cc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is JMCFVGLRQWMIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-12-16(17(24)13-5-3-2-4-6-13)11-23(22-12)15-9-7-14(8-10-15)18(19,20)21/h7-11,13,17,24H,2-6H2,1H3.
What are the key properties of cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 338.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66777288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).