2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol

C9H14F2N2O — CID 146645478

IUPAC2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol
SMILESCC(C)c1cnn(C)c1C(F)(F)CO
InChIInChI=1S/C9H14F2N2O/c1-6(2)7-4-12-13(3)8(7)9(10,11)5-14/h4,6,14H,5H2,1-3H3
InChIKeyMNOHDIICZFMNTH-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.63
Rot. Bonds3

About 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol

2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol (PubChem CID 146645478) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol
PubChem CID146645478
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol
SMILESCC(C)c1cnn(C)c1C(F)(F)CO
InChIInChI=1S/C9H14F2N2O/c1-6(2)7-4-12-13(3)8(7)9(10,11)5-14/h4,6,14H,5H2,1-3H3
InChIKeyMNOHDIICZFMNTH-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol (CID 146645478) is 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol is CC(C)c1cnn(C)c1C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol?
The InChIKey is MNOHDIICZFMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6(2)7-4-12-13(3)8(7)9(10,11)5-14/h4,6,14H,5H2,1-3H3.
What are the key properties of 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol?
2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol has a molecular weight of 204.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol is sourced from PubChem (CID 146645478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).