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

C18H21F3N2O2 — CID 66777475

IUPACcyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H21F3N2O2/c1-12-16(17(24)13-5-3-2-4-6-13)11-23(22-12)14-7-9-15(10-8-14)25-18(19,20)21/h7-11,13,17,24H,2-6H2,1H3
InChIKeyHYLUUEDUEXYXNV-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.69
Rot. Bonds4

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

cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (PubChem CID 66777475) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
PubChem CID66777475
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Namecyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H21F3N2O2/c1-12-16(17(24)13-5-3-2-4-6-13)11-23(22-12)14-7-9-15(10-8-14)25-18(19,20)21/h7-11,13,17,24H,2-6H2,1H3
InChIKeyHYLUUEDUEXYXNV-UHFFFAOYSA-N
XLogP4.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (CID 66777475) is cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is Cc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The InChIKey is HYLUUEDUEXYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-12-16(17(24)13-5-3-2-4-6-13)11-23(22-12)14-7-9-15(10-8-14)25-18(19,20)21/h7-11,13,17,24H,2-6H2,1H3.
What are the key properties of cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol has a molecular weight of 354.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66777475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).