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

C11H17F3N2O3 — CID 106989455

IUPAC1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCC(C)OCC(O)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H17F3N2O3/c1-8(6-18-2)19-7-10(17)5-16-4-9(3-15-16)11(12,13)14/h3-4,8,10,17H,5-7H2,1-2H3
InChIKeyPFLWLCDAWALRNW-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.31
Rot. Bonds7

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

1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 106989455) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID106989455
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCC(C)OCC(O)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H17F3N2O3/c1-8(6-18-2)19-7-10(17)5-16-4-9(3-15-16)11(12,13)14/h3-4,8,10,17H,5-7H2,1-2H3
InChIKeyPFLWLCDAWALRNW-UHFFFAOYSA-N
XLogP1.31
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 115475769
1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989366
1-indazol-1-yl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989379
1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993138
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989388
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 113449243
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
methyl 2-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]but-2-enoate
CID 77101183

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 106989455) is 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is COCC(C)OCC(O)Cn1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is PFLWLCDAWALRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-8(6-18-2)19-7-10(17)5-16-4-9(3-15-16)11(12,13)14/h3-4,8,10,17H,5-7H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 282.26 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 106989455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).