4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one

C11H19N3O — CID 116550797

IUPAC4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
SMILESCCc1cc(CC(=O)CCN)n(CC)n1
InChIInChI=1S/C11H19N3O/c1-3-9-7-10(14(4-2)13-9)8-11(15)5-6-12/h7H,3-6,8,12H2,1-2H3
InChIKeyINNVNDSLLIJRGC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one

4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one (PubChem CID 116550797) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
PubChem CID116550797
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
SMILESCCc1cc(CC(=O)CCN)n(CC)n1
InChIInChI=1S/C11H19N3O/c1-3-9-7-10(14(4-2)13-9)8-11(15)5-6-12/h7H,3-6,8,12H2,1-2H3
InChIKeyINNVNDSLLIJRGC-UHFFFAOYSA-N
XLogP0.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 116555433
1-[1-(aminomethyl)cyclohexyl]-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116600727
1-(2-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66142679
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
1-(4-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66055470
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The IUPAC name of 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one (CID 116550797) is 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The canonical SMILES for 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one is CCc1cc(CC(=O)CCN)n(CC)n1.
What is the InChIKey of 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The InChIKey is INNVNDSLLIJRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9-7-10(14(4-2)13-9)8-11(15)5-6-12/h7H,3-6,8,12H2,1-2H3.
What are the key properties of 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one is sourced from PubChem (CID 116550797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).