2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol

C9H13F3N2O2 — CID 170618633

IUPAC2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol
SMILESCc1c(OCC(F)(F)F)nn(CCO)c1C
InChIInChI=1S/C9H13F3N2O2/c1-6-7(2)14(3-4-15)13-8(6)16-5-9(10,11)12/h15H,3-5H2,1-2H3
InChIKeyZFVASSLCKWUQNQ-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.43
Rot. Bonds4

About 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol

2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol (PubChem CID 170618633) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol
PubChem CID170618633
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol
SMILESCc1c(OCC(F)(F)F)nn(CCO)c1C
InChIInChI=1S/C9H13F3N2O2/c1-6-7(2)14(3-4-15)13-8(6)16-5-9(10,11)12/h15H,3-5H2,1-2H3
InChIKeyZFVASSLCKWUQNQ-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol (CID 170618633) is 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol is Cc1c(OCC(F)(F)F)nn(CCO)c1C.
What is the InChIKey of 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol?
The InChIKey is ZFVASSLCKWUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6-7(2)14(3-4-15)13-8(6)16-5-9(10,11)12/h15H,3-5H2,1-2H3.
What are the key properties of 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol?
2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol has a molecular weight of 238.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol is sourced from PubChem (CID 170618633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).