3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C12H19F3N2O — CID 110006226

IUPAC3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCCCCn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N2O/c1-2-3-4-7-17-9-10(6-5-8-18)11(16-17)12(13,14)15/h9,18H,2-8H2,1H3
InChIKeyOSAJWSZOSCUMGO-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.02
Rot. Bonds7

About 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 110006226) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID110006226
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCCCCn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N2O/c1-2-3-4-7-17-9-10(6-5-8-18)11(16-17)12(13,14)15/h9,18H,2-8H2,1H3
InChIKeyOSAJWSZOSCUMGO-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 110006226) is 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is CCCCCn1cc(CCCO)c(C(F)(F)F)n1.
What is the InChIKey of 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is OSAJWSZOSCUMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-3-4-7-17-9-10(6-5-8-18)11(16-17)12(13,14)15/h9,18H,2-8H2,1H3.
What are the key properties of 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 264.29 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 110006226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).