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

C8H11F3N2O2 — CID 63929434

IUPAC1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O2/c1-15-5-6(14)4-13-3-2-7(12-13)8(9,10)11/h2-3,6,14H,4-5H2,1H3
InChIKeyUWBYCRLTXPMDRE-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.91
Rot. Bonds4

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

1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 63929434) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID63929434
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O2/c1-15-5-6(14)4-13-3-2-7(12-13)8(9,10)11/h2-3,6,14H,4-5H2,1H3
InChIKeyUWBYCRLTXPMDRE-UHFFFAOYSA-N
XLogP0.91
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 63929434) is 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is COCC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is UWBYCRLTXPMDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-15-5-6(14)4-13-3-2-7(12-13)8(9,10)11/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 224.18 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 63929434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).