cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

C24H26F3N3O — CID 66778467

IUPACcyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(C(F)(F)F)cn2)nc1CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)19-12-14-22(28-15-19)30-16-20(23(31)18-9-5-2-6-10-18)21(29-30)13-11-17-7-3-1-4-8-17/h1,3-4,7-8,12,14-16,18,23,31H,2,5-6,9-11,13H2
InChIKeyQTAOLRMLGORZJV-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.68
Rot. Bonds6

About cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 66778467) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID66778467
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Namecyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(C(F)(F)F)cn2)nc1CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)19-12-14-22(28-15-19)30-16-20(23(31)18-9-5-2-6-10-18)21(29-30)13-11-17-7-3-1-4-8-17/h1,3-4,7-8,12,14-16,18,23,31H,2,5-6,9-11,13H2
InChIKeyQTAOLRMLGORZJV-UHFFFAOYSA-N
XLogP5.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 66778467) is cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is OC(c1cn(-c2ccc(C(F)(F)F)cn2)nc1CCc1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is QTAOLRMLGORZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c25-24(26,27)19-12-14-22(28-15-19)30-16-20(23(31)18-9-5-2-6-10-18)21(29-30)13-11-17-7-3-1-4-8-17/h1,3-4,7-8,12,14-16,18,23,31H,2,5-6,9-11,13H2.
What are the key properties of cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 429.49 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(2-phenylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66778467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).