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

C12H13N3O — CID 15112560

IUPAC1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C12H13N3O/c1-2-11(16)10-8-14-15(12(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChIKeyXWJRSNYVOLUZNY-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.05
Rot. Bonds3

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

1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 15112560) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
PubChem CID15112560
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C12H13N3O/c1-2-11(16)10-8-14-15(12(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChIKeyXWJRSNYVOLUZNY-UHFFFAOYSA-N
XLogP2.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1-phenylpyrazol-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-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one (CID 15112560) is 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one is CCC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is XWJRSNYVOLUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-11(16)10-8-14-15(12(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3.
What are the key properties of 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one?
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 215.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 15112560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).