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

C9H11F3N2O — CID 121213244

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-6(3-4-15)7(13-14-8)5-1-2-5/h5,15H,1-4H2,(H,13,14)
InChIKeyCVXIRSVKPISEPZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.84
Rot. Bonds3

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

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 121213244) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID121213244
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-6(3-4-15)7(13-14-8)5-1-2-5/h5,15H,1-4H2,(H,13,14)
InChIKeyCVXIRSVKPISEPZ-UHFFFAOYSA-N
XLogP1.84
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 121213244) is 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is OCCc1c(C(F)(F)F)n[nH]c1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is CVXIRSVKPISEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-6(3-4-15)7(13-14-8)5-1-2-5/h5,15H,1-4H2,(H,13,14).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 220.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 121213244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).