2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C15H24F3N3O2 — CID 143533731

IUPAC2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCN(C)[C@H](O)C1CCC(c2cc(C(F)(F)F)nn2CCO)CC1
InChIInChI=1S/C15H24F3N3O2/c1-20(2)14(23)11-5-3-10(4-6-11)12-9-13(15(16,17)18)19-21(12)7-8-22/h9-11,14,22-23H,3-8H2,1-2H3/t10?,11?,14-/m1/s1
InChIKeyFRNFNKOAHLQQKU-QIMFLAQGSA-N
MW335.37 g/mol
LogP2.05
Rot. Bonds5

About 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 143533731) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID143533731
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCN(C)[C@H](O)C1CCC(c2cc(C(F)(F)F)nn2CCO)CC1
InChIInChI=1S/C15H24F3N3O2/c1-20(2)14(23)11-5-3-10(4-6-11)12-9-13(15(16,17)18)19-21(12)7-8-22/h9-11,14,22-23H,3-8H2,1-2H3/t10?,11?,14-/m1/s1
InChIKeyFRNFNKOAHLQQKU-QIMFLAQGSA-N
XLogP2.05
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 143533731) is 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is CN(C)[C@H](O)C1CCC(c2cc(C(F)(F)F)nn2CCO)CC1.
What is the InChIKey of 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is FRNFNKOAHLQQKU-QIMFLAQGSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-20(2)14(23)11-5-3-10(4-6-11)12-9-13(15(16,17)18)19-21(12)7-8-22/h9-11,14,22-23H,3-8H2,1-2H3/t10?,11?,14-/m1/s1.
What are the key properties of 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 335.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 143533731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).