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

C10H15F3N2O — CID 115518259

IUPAC1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-2-9(16)8-6-14-15(7-8)5-3-4-10(11,12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyGWPOUMLJIJOCPZ-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.67
Rot. Bonds5

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

1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol (PubChem CID 115518259) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol
PubChem CID115518259
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-2-9(16)8-6-14-15(7-8)5-3-4-10(11,12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyGWPOUMLJIJOCPZ-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol (CID 115518259) is 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CCCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is GWPOUMLJIJOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-9(16)8-6-14-15(7-8)5-3-4-10(11,12)13/h6-7,9,16H,2-5H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol?
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 236.24 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 115518259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).