2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C11H17F3N2O — CID 110006317

IUPAC2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCCCCn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O/c1-2-3-4-6-16-8-9(5-7-17)10(15-16)11(12,13)14/h8,17H,2-7H2,1H3
InChIKeyXRMATTUQFNJTAG-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.63
Rot. Bonds6

About 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 110006317) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID110006317
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCCCCn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O/c1-2-3-4-6-16-8-9(5-7-17)10(15-16)11(12,13)14/h8,17H,2-7H2,1H3
InChIKeyXRMATTUQFNJTAG-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

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 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 110006317) is 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is CCCCCn1cc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is XRMATTUQFNJTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-3-4-6-16-8-9(5-7-17)10(15-16)11(12,13)14/h8,17H,2-7H2,1H3.
What are the key properties of 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol 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 2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 110006317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).