2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol

C15H24F3N3O — CID 110905631

IUPAC2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O/c1-10-14(11(2)21(20-10)6-7-22)9-19-13-5-3-4-12(8-13)15(16,17)18/h12-13,19,22H,3-9H2,1-2H3
InChIKeyGSZFGCNGNPYLFB-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.70
Rot. Bonds5

About 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 110905631) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID110905631
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O/c1-10-14(11(2)21(20-10)6-7-22)9-19-13-5-3-4-12(8-13)15(16,17)18/h12-13,19,22H,3-9H2,1-2H3
InChIKeyGSZFGCNGNPYLFB-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol (CID 110905631) is 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is GSZFGCNGNPYLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-10-14(11(2)21(20-10)6-7-22)9-19-13-5-3-4-12(8-13)15(16,17)18/h12-13,19,22H,3-9H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 319.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).