1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one

C12H20N2O — CID 79405118

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
SMILESCCCCC(=O)Cc1cc(C)nn1CC
InChIInChI=1S/C12H20N2O/c1-4-6-7-12(15)9-11-8-10(3)13-14(11)5-2/h8H,4-7,9H2,1-3H3
InChIKeyJDAIHJDIHIJZKC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.51
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one

1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one (PubChem CID 79405118) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
PubChem CID79405118
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
SMILESCCCCC(=O)Cc1cc(C)nn1CC
InChIInChI=1S/C12H20N2O/c1-4-6-7-12(15)9-11-8-10(3)13-14(11)5-2/h8H,4-7,9H2,1-3H3
InChIKeyJDAIHJDIHIJZKC-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-one
CID 105111942
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one
CID 115779759
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-(cyclohexen-1-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-one
CID 116659833
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one (CID 79405118) is 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one is CCCCC(=O)Cc1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one?
The InChIKey is JDAIHJDIHIJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-7-12(15)9-11-8-10(3)13-14(11)5-2/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one?
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one is sourced from PubChem (CID 79405118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).