2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol

C7H10F2N2O — CID 146646112

IUPAC2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol
SMILESCc1cnn(C)c1C(F)(F)CO
InChIInChI=1S/C7H10F2N2O/c1-5-3-10-11(2)6(5)7(8,9)4-12/h3,12H,4H2,1-2H3
InChIKeyOBESPHWWMUIAMV-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.81
Rot. Bonds2

About 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol

2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol (PubChem CID 146646112) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol
PubChem CID146646112
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol
SMILESCc1cnn(C)c1C(F)(F)CO
InChIInChI=1S/C7H10F2N2O/c1-5-3-10-11(2)6(5)7(8,9)4-12/h3,12H,4H2,1-2H3
InChIKeyOBESPHWWMUIAMV-UHFFFAOYSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol (CID 146646112) is 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol is Cc1cnn(C)c1C(F)(F)CO.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol?
The InChIKey is OBESPHWWMUIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5-3-10-11(2)6(5)7(8,9)4-12/h3,12H,4H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol?
2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol has a molecular weight of 176.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)-2,2-difluoroethanol is sourced from PubChem (CID 146646112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).