2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C13H19F3N2O2 — CID 145288989

IUPAC2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCC1(C)CCOC(c2cc(C(F)(F)F)nn2CCO)C1
InChIInChI=1S/C13H19F3N2O2/c1-12(2)3-6-20-10(8-12)9-7-11(13(14,15)16)17-18(9)4-5-19/h7,10,19H,3-6,8H2,1-2H3
InChIKeySAULSHDIIQBWGC-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.77
Rot. Bonds3

About 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 145288989) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID145288989
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCC1(C)CCOC(c2cc(C(F)(F)F)nn2CCO)C1
InChIInChI=1S/C13H19F3N2O2/c1-12(2)3-6-20-10(8-12)9-7-11(13(14,15)16)17-18(9)4-5-19/h7,10,19H,3-6,8H2,1-2H3
InChIKeySAULSHDIIQBWGC-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 145288989) is 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol is CC1(C)CCOC(c2cc(C(F)(F)F)nn2CCO)C1.
What is the InChIKey of 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is SAULSHDIIQBWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-12(2)3-6-20-10(8-12)9-7-11(13(14,15)16)17-18(9)4-5-19/h7,10,19H,3-6,8H2,1-2H3.
What are the key properties of 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 292.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,4-dimethyloxan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 145288989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).