2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol

C9H14F2N2O — CID 155103275

IUPAC2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(CC(F)F)c(C)c1CCO
InChIInChI=1S/C9H14F2N2O/c1-6-8(3-4-14)7(2)13(12-6)5-9(10)11/h9,14H,3-5H2,1-2H3
InChIKeyINFAAFXJYSMBNG-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.30
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol

2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 155103275) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID155103275
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(CC(F)F)c(C)c1CCO
InChIInChI=1S/C9H14F2N2O/c1-6-8(3-4-14)7(2)13(12-6)5-9(10)11/h9,14H,3-5H2,1-2H3
InChIKeyINFAAFXJYSMBNG-UHFFFAOYSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 155103275) is 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(CC(F)F)c(C)c1CCO.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is INFAAFXJYSMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6-8(3-4-14)7(2)13(12-6)5-9(10)11/h9,14H,3-5H2,1-2H3.
What are the key properties of 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 204.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 155103275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).