1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane

C9H16N2O — CID 143815572

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane
SMILESCC.CC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C7H10N2O.C2H6/c1-4-7(6(3)10)5(2)9-8-4;1-2/h1-3H3,(H,8,9);1-2H3
InChIKeyVVIDIMYBMHJDRM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.26
Rot. Bonds1

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane (PubChem CID 143815572) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane
PubChem CID143815572
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane
SMILESCC.CC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C7H10N2O.C2H6/c1-4-7(6(3)10)5(2)9-8-4;1-2/h1-3H3,(H,8,9);1-2H3
InChIKeyVVIDIMYBMHJDRM-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 3552888
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 239664
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 684132
1-(5-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 13221039
1-(5-amino-3-methyl-1H-pyrazol-4-yl)ethanone
CID 12058299
1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone
CID 135080622
1-[5-methyl-3-(pentafluoroethyl)-1H-pyrazol-4-yl]ethanone
CID 919069
1-[3-fluoro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 67836279
3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide
CID 90102522
5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 121213179
5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 126992732
3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 133664642

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane (CID 143815572) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane is CC.CC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane?
The InChIKey is VVIDIMYBMHJDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-4-7(6(3)10)5(2)9-8-4;1-2/h1-3H3,(H,8,9);1-2H3.
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane?
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane has a molecular weight of 168.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;ethane is sourced from PubChem (CID 143815572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).