1-(5-amino-1-methylpyrazol-4-yl)propan-1-one

C7H11N3O — CID 65360645

IUPAC1-(5-amino-1-methylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cnn(C)c1N
InChIInChI=1S/C7H11N3O/c1-3-6(11)5-4-9-10(2)7(5)8/h4H,3,8H2,1-2H3
InChIKeyIAZUVUJNOQMBDW-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.60
Rot. Bonds2

About 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one

1-(5-amino-1-methylpyrazol-4-yl)propan-1-one (PubChem CID 65360645) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)propan-1-one
PubChem CID65360645
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cnn(C)c1N
InChIInChI=1S/C7H11N3O/c1-3-6(11)5-4-9-10(2)7(5)8/h4H,3,8H2,1-2H3
InChIKeyIAZUVUJNOQMBDW-UHFFFAOYSA-N
XLogP0.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one 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)propan-1-one?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one (CID 65360645) is 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one is CCC(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is IAZUVUJNOQMBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-6(11)5-4-9-10(2)7(5)8/h4H,3,8H2,1-2H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)propan-1-one?
1-(5-amino-1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 153.18 g/mol, XLogP of 0.60, 2 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)propan-1-one is sourced from PubChem (CID 65360645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).