4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one

C12H21N3O — CID 115345651

IUPAC4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
SMILESCCn1nc(C)cc1CC(=O)CCN(C)C
InChIInChI=1S/C12H21N3O/c1-5-15-11(8-10(2)13-15)9-12(16)6-7-14(3)4/h8H,5-7,9H2,1-4H3
InChIKeyQJKPBBVJTSKTCD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.27
Rot. Bonds6

About 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one

4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one (PubChem CID 115345651) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
PubChem CID115345651
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
SMILESCCn1nc(C)cc1CC(=O)CCN(C)C
InChIInChI=1S/C12H21N3O/c1-5-15-11(8-10(2)13-15)9-12(16)6-7-14(3)4/h8H,5-7,9H2,1-4H3
InChIKeyQJKPBBVJTSKTCD-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-one
CID 105111942
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one
CID 115779759
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537
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
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one (CID 115345651) is 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one is CCn1nc(C)cc1CC(=O)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
The InChIKey is QJKPBBVJTSKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-15-11(8-10(2)13-15)9-12(16)6-7-14(3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 115345651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).