1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one

C10H16ClN3O — CID 116564972

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one
SMILESCNC(C)C(=O)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-6-8(10(11)14(4)13-6)5-9(15)7(2)12-3/h7,12H,5H2,1-4H3
InChIKeyVLKJZUNPSVEWMJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.10
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one (PubChem CID 116564972) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one
PubChem CID116564972
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one
SMILESCNC(C)C(=O)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-6-8(10(11)14(4)13-6)5-9(15)7(2)12-3/h7,12H,5H2,1-4H3
InChIKeyVLKJZUNPSVEWMJ-UHFFFAOYSA-N
XLogP1.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-hydroxy-4,4-dimethylpentan-2-one
CID 103456367
3-(aminomethyl)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methylpentan-2-one
CID 116573924
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 60796591
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 110027942
tert-butyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 75447083
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-one
CID 116592681
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115799467
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)heptan-2-one
CID 116607855

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one (CID 116564972) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one is CNC(C)C(=O)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one?
The InChIKey is VLKJZUNPSVEWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6-8(10(11)14(4)13-6)5-9(15)7(2)12-3/h7,12H,5H2,1-4H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one has a molecular weight of 229.71 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one is sourced from PubChem (CID 116564972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).