1-(5-amino-1-methylpyrazol-4-yl)ethanone

C6H9N3O — CID 11412428

IUPAC1-(5-amino-1-methylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C)c1N
InChIInChI=1S/C6H9N3O/c1-4(10)5-3-8-9(2)6(5)7/h3H,7H2,1-2H3
InChIKeyIRMMPGYRIXATFO-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.20
Rot. Bonds1

About 1-(5-amino-1-methylpyrazol-4-yl)ethanone

1-(5-amino-1-methylpyrazol-4-yl)ethanone (PubChem CID 11412428) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)ethanone
PubChem CID11412428
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C)c1N
InChIInChI=1S/C6H9N3O/c1-4(10)5-3-8-9(2)6(5)7/h3H,7H2,1-2H3
InChIKeyIRMMPGYRIXATFO-UHFFFAOYSA-N
XLogP0.20
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1-methylpyrazol-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-(5-amino-1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)ethanone (CID 11412428) is 1-(5-amino-1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)ethanone is CC(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)ethanone?
The InChIKey is IRMMPGYRIXATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(10)5-3-8-9(2)6(5)7/h3H,7H2,1-2H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)ethanone?
1-(5-amino-1-methylpyrazol-4-yl)ethanone has a molecular weight of 139.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 11412428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).