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

C10H17N3O — CID 116550798

IUPAC4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
SMILESCCn1nc(C)cc1CC(=O)CCN
InChIInChI=1S/C10H17N3O/c1-3-13-9(6-8(2)12-13)7-10(14)4-5-11/h6H,3-5,7,11H2,1-2H3
InChIKeyQZSOWOCYJNNQMK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.67
Rot. Bonds5

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

4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one (PubChem CID 116550798) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
PubChem CID116550798
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
SMILESCCn1nc(C)cc1CC(=O)CCN
InChIInChI=1S/C10H17N3O/c1-3-13-9(6-8(2)12-13)7-10(14)4-5-11/h6H,3-5,7,11H2,1-2H3
InChIKeyQZSOWOCYJNNQMK-UHFFFAOYSA-N
XLogP0.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-one
CID 105111942
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
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
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
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537
1-(cyclohexen-1-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-one
CID 116659833
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one
CID 116599023

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one (CID 116550798) is 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one is CCn1nc(C)cc1CC(=O)CCN.
What is the InChIKey of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
The InChIKey is QZSOWOCYJNNQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13-9(6-8(2)12-13)7-10(14)4-5-11/h6H,3-5,7,11H2,1-2H3.
What are the key properties of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one?
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 116550798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).