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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Related Compounds

[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanediol
CID 67183329
methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 153259560
1-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)pyrazole
CID 178150124
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 176763523
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
CID 155787889
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156405
2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride
CID 119913007
4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene
CID 130223264
1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
CID 19625585

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).