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

C11H17F3N2O3 — CID 106989366

IUPAC1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCC(C)OCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O3/c1-8(6-18-2)19-7-9(17)5-16-4-3-10(15-16)11(12,13)14/h3-4,8-9,17H,5-7H2,1-2H3
InChIKeyNECAQZPOGPPSOQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.31
Rot. Bonds7

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

1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 106989366) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID106989366
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCC(C)OCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O3/c1-8(6-18-2)19-7-9(17)5-16-4-3-10(15-16)11(12,13)14/h3-4,8-9,17H,5-7H2,1-2H3
InChIKeyNECAQZPOGPPSOQ-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-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989367
1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989455
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
1-[(4-chlorophenyl)methoxy]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411681
1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989388
(2S)-1-(3-nitrophenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243187
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243184
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 106989366) is 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is COCC(C)OCC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is NECAQZPOGPPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-8(6-18-2)19-7-9(17)5-16-4-3-10(15-16)11(12,13)14/h3-4,8-9,17H,5-7H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[3-(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-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 106989366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).