2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol

C11H11F3N2O — CID 142782271

IUPAC2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol
SMILESOCCc1cc(F)c(N2CCC=N2)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-8-6-7(2-5-17)9(13)10(14)11(8)16-4-1-3-15-16/h3,6,17H,1-2,4-5H2
InChIKeyMSYRIHBWELHTHW-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.83
Rot. Bonds3

About 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol

2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol (PubChem CID 142782271) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol
PubChem CID142782271
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol
SMILESOCCc1cc(F)c(N2CCC=N2)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-8-6-7(2-5-17)9(13)10(14)11(8)16-4-1-3-15-16/h3,6,17H,1-2,4-5H2
InChIKeyMSYRIHBWELHTHW-UHFFFAOYSA-N
XLogP1.83
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
The IUPAC name of 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol (CID 142782271) is 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol.
What is the SMILES notation for 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
The canonical SMILES for 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol is OCCc1cc(F)c(N2CCC=N2)c(F)c1F.
What is the InChIKey of 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
The InChIKey is MSYRIHBWELHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-8-6-7(2-5-17)9(13)10(14)11(8)16-4-1-3-15-16/h3,6,17H,1-2,4-5H2.
What are the key properties of 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol has a molecular weight of 244.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol is sourced from PubChem (CID 142782271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).