1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one

C15H19N5O — CID 117459711

IUPAC1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2cccc(-c3cnn(C)c3N)c2)C(=O)C1
InChIInChI=1S/C15H19N5O/c1-18-6-7-20(14(21)10-18)12-5-3-4-11(8-12)13-9-17-19(2)15(13)16/h3-5,8-9H,6-7,10,16H2,1-2H3
InChIKeyYVLYCMMGFKWXHL-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.95
Rot. Bonds2

About 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one

1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one (PubChem CID 117459711) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
PubChem CID117459711
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2cccc(-c3cnn(C)c3N)c2)C(=O)C1
InChIInChI=1S/C15H19N5O/c1-18-6-7-20(14(21)10-18)12-5-3-4-11(8-12)13-9-17-19(2)15(13)16/h3-5,8-9H,6-7,10,16H2,1-2H3
InChIKeyYVLYCMMGFKWXHL-UHFFFAOYSA-N
XLogP0.95
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one (CID 117459711) is 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one is CN1CCN(c2cccc(-c3cnn(C)c3N)c2)C(=O)C1.
What is the InChIKey of 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one?
The InChIKey is YVLYCMMGFKWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-18-6-7-20(14(21)10-18)12-5-3-4-11(8-12)13-9-17-19(2)15(13)16/h3-5,8-9H,6-7,10,16H2,1-2H3.
What are the key properties of 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one?
1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 117459711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).