1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C12H17F3N2O3 — CID 75482627

IUPAC1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(COC1CCOCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11-1-4-17(16-11)7-9(18)8-20-10-2-5-19-6-3-10/h1,4,9-10,18H,2-3,5-8H2
InChIKeyRGVFAHKENMVNMP-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.46
Rot. Bonds5

About 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 75482627) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID75482627
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(COC1CCOCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11-1-4-17(16-11)7-9(18)8-20-10-2-5-19-6-3-10/h1,4,9-10,18H,2-3,5-8H2
InChIKeyRGVFAHKENMVNMP-UHFFFAOYSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
4-{ethyl[(1-ethyl-1H-pyrazol-3-yl)methyl]amino}tetrahydrofuran-3-ol
CID 91833531
1-[Di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 22958930
1-[3-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631899
1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 67468793
1-(2-Propan-2-yloxyethyl)-3-(trifluoromethyl)pyrazole
CID 104097142
1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 116023728
1-[Methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
CID 118149676
4,4,4-Trifluoro-1-(3-methylpyrazol-1-yl)butan-2-ol
CID 156062663
2-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169757329
3-(Difluoromethyl)-1-(oxan-4-yl)pyrazole
CID 175707701
3-[3-(Trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 176218607

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 75482627) is 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is OC(COC1CCOCC1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is RGVFAHKENMVNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)11-1-4-17(16-11)7-9(18)8-20-10-2-5-19-6-3-10/h1,4,9-10,18H,2-3,5-8H2.
What are the key properties of 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 294.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 75482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).