1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone

C7H11N3O — CID 11019066

IUPAC1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C7H11N3O/c1-4-6(5(2)11)7(8)9-10(4)3/h1-3H3,(H2,8,9)
InChIKeyLYQJYNZYTAGPCJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.51
Rot. Bonds1

About 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone

1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone (PubChem CID 11019066) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone
PubChem CID11019066
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C7H11N3O/c1-4-6(5(2)11)7(8)9-10(4)3/h1-3H3,(H2,8,9)
InChIKeyLYQJYNZYTAGPCJ-UHFFFAOYSA-N
XLogP0.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone (CID 11019066) is 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone is CC(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone?
The InChIKey is LYQJYNZYTAGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6(5(2)11)7(8)9-10(4)3/h1-3H3,(H2,8,9).
What are the key properties of 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone?
1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,5-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 11019066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).