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

C11H17F3N2O — CID 110006232

IUPAC3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCCCn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O/c1-2-3-6-16-8-9(5-4-7-17)10(15-16)11(12,13)14/h8,17H,2-7H2,1H3
InChIKeyGDTVMLHHKHFPAU-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.63
Rot. Bonds6

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

3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 110006232) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID110006232
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCCCn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O/c1-2-3-6-16-8-9(5-4-7-17)10(15-16)11(12,13)14/h8,17H,2-7H2,1H3
InChIKeyGDTVMLHHKHFPAU-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 110006232) is 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is CCCCn1cc(CCCO)c(C(F)(F)F)n1.
What is the InChIKey of 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is GDTVMLHHKHFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-3-6-16-8-9(5-4-7-17)10(15-16)11(12,13)14/h8,17H,2-7H2,1H3.
What are the key properties of 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 110006232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).