2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C10H13F3N2O — CID 121213245

IUPAC2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1c(C(F)(F)F)n[nH]c1C1CCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-7(4-5-16)8(14-15-9)6-2-1-3-6/h6,16H,1-5H2,(H,14,15)
InChIKeyPHBFHJHHTZKMFS-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.23
Rot. Bonds3

About 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 121213245) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID121213245
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1c(C(F)(F)F)n[nH]c1C1CCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-7(4-5-16)8(14-15-9)6-2-1-3-6/h6,16H,1-5H2,(H,14,15)
InChIKeyPHBFHJHHTZKMFS-UHFFFAOYSA-N
XLogP2.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 121213245) is 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is OCCc1c(C(F)(F)F)n[nH]c1C1CCC1.
What is the InChIKey of 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is PHBFHJHHTZKMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9-7(4-5-16)8(14-15-9)6-2-1-3-6/h6,16H,1-5H2,(H,14,15).
What are the key properties of 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 234.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 121213245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).