2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one

C9H15N3O — CID 116586751

IUPAC2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCNCC(C)C(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O/c1-7(6-10-2)9(13)8-4-5-11-12(8)3/h4-5,7,10H,6H2,1-3H3
InChIKeyYYBCDYVALDYDLV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.46
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one

2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 116586751) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID116586751
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCNCC(C)C(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O/c1-7(6-10-2)9(13)8-4-5-11-12(8)3/h4-5,7,10H,6H2,1-3H3
InChIKeyYYBCDYVALDYDLV-UHFFFAOYSA-N
XLogP0.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 114972564
1-(2-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-one
CID 114972552
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 103453934
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
2-ethoxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 116707780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one (CID 116586751) is 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one is CNCC(C)C(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is YYBCDYVALDYDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(6-10-2)9(13)8-4-5-11-12(8)3/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 116586751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).