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

C13H23N3O — CID 116586963

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
SMILESCCc1cc(CC(=O)C(C)CNC)n(CC)n1
InChIInChI=1S/C13H23N3O/c1-5-11-7-12(16(6-2)15-11)8-13(17)10(3)9-14-4/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyVGZGXUZTRNVSPF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.43
Rot. Bonds7

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

1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one (PubChem CID 116586963) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
PubChem CID116586963
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
SMILESCCc1cc(CC(=O)C(C)CNC)n(CC)n1
InChIInChI=1S/C13H23N3O/c1-5-11-7-12(16(6-2)15-11)8-13(17)10(3)9-14-4/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyVGZGXUZTRNVSPF-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
4-(1,3-diethylpyrazol-5-yl)-2-methylbutanoic acid
CID 81007921
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 116555433
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-2-methylpropanoate
CID 66114468
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one (CID 116586963) is 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one is CCc1cc(CC(=O)C(C)CNC)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one?
The InChIKey is VGZGXUZTRNVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-11-7-12(16(6-2)15-11)8-13(17)10(3)9-14-4/h7,10,14H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one?
1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one is sourced from PubChem (CID 116586963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).