1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one

C17H18N6O — CID 133336905

IUPAC1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
SMILESCc1ccc2ncnc(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1
InChIInChI=1S/C17H18N6O/c1-12-3-4-15-14(7-12)17(19-11-18-15)22-5-6-23(16(24)10-22)13-8-20-21(2)9-13/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyDJKKOJXJLWQPJO-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.52
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one (PubChem CID 133336905) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
PubChem CID133336905
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
SMILESCc1ccc2ncnc(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1
InChIInChI=1S/C17H18N6O/c1-12-3-4-15-14(7-12)17(19-11-18-15)22-5-6-23(16(24)10-22)13-8-20-21(2)9-13/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyDJKKOJXJLWQPJO-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-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

Related Compounds

6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one
CID 133336935
4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336896
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336885
4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336930
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336920
1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one (CID 133336905) is 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one is Cc1ccc2ncnc(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one?
The InChIKey is DJKKOJXJLWQPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-3-4-15-14(7-12)17(19-11-18-15)22-5-6-23(16(24)10-22)13-8-20-21(2)9-13/h3-4,7-9,11H,5-6,10H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one has a molecular weight of 322.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one is sourced from PubChem (CID 133336905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).