1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride

C7H11FN2O — CID 159984372

IUPAC1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
SMILESCC(=O)c1cc(C)n(C)n1.F
InChIInChI=1S/C7H10N2O.FH/c1-5-4-7(6(2)10)8-9(5)3;/h4H,1-3H3;1H
InChIKeyOGDKWTKTICCMKT-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.08
Rot. Bonds1

About 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride

1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride (PubChem CID 159984372) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
PubChem CID159984372
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
SMILESCC(=O)c1cc(C)n(C)n1.F
InChIInChI=1S/C7H10N2O.FH/c1-5-4-7(6(2)10)8-9(5)3;/h4H,1-3H3;1H
InChIKeyOGDKWTKTICCMKT-UHFFFAOYSA-N
XLogP1.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
CID 136983537
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
1-(1-methyl-5-nitropyrazol-3-yl)ethanone
CID 82412966
1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
CID 126974372
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
tert-butyl 1,5-dimethylpyrazole-3-carboxylate
CID 130485579
(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone
CID 130244369
(1,5-dimethylpyrazol-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130530261
N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 130485661
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride (CID 159984372) is 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride is CC(=O)c1cc(C)n(C)n1.F.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride?
The InChIKey is OGDKWTKTICCMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.FH/c1-5-4-7(6(2)10)8-9(5)3;/h4H,1-3H3;1H.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride?
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride has a molecular weight of 158.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride is sourced from PubChem (CID 159984372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).