1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol

C8H11F3N2O — CID 62730193

IUPAC1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-2-7(14)6-3-12-13(4-6)5-8(9,10)11/h3-4,7,14H,2,5H2,1H3
InChIKeyZWAALMJSORJTNO-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.89
Rot. Bonds3

About 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol

1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 62730193) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol
PubChem CID62730193
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-2-7(14)6-3-12-13(4-6)5-8(9,10)11/h3-4,7,14H,2,5H2,1H3
InChIKeyZWAALMJSORJTNO-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol (CID 62730193) is 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is ZWAALMJSORJTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-7(14)6-3-12-13(4-6)5-8(9,10)11/h3-4,7,14H,2,5H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol?
1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62730193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).