4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one

C21H20N4O2 — CID 126802300

IUPAC4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
SMILESCc1cnn(-c2ccc(C(=O)N3CCNC(=O)C3c3ccccc3)cc2)c1
InChIInChI=1S/C21H20N4O2/c1-15-13-23-25(14-15)18-9-7-17(8-10-18)21(27)24-12-11-22-20(26)19(24)16-5-3-2-4-6-16/h2-10,13-14,19H,11-12H2,1H3,(H,22,26)
InChIKeyDZSNDPMIYBOAET-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.49
Rot. Bonds3

About 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one

4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one (PubChem CID 126802300) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
PubChem CID126802300
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
SMILESCc1cnn(-c2ccc(C(=O)N3CCNC(=O)C3c3ccccc3)cc2)c1
InChIInChI=1S/C21H20N4O2/c1-15-13-23-25(14-15)18-9-7-17(8-10-18)21(27)24-12-11-22-20(26)19(24)16-5-3-2-4-6-16/h2-10,13-14,19H,11-12H2,1H3,(H,22,26)
InChIKeyDZSNDPMIYBOAET-UHFFFAOYSA-N
XLogP2.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-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

[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732506
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 99698437
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 110657549
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95152464

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one (CID 126802300) is 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one is Cc1cnn(-c2ccc(C(=O)N3CCNC(=O)C3c3ccccc3)cc2)c1.
What is the InChIKey of 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one?
The InChIKey is DZSNDPMIYBOAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-13-23-25(14-15)18-9-7-17(8-10-18)21(27)24-12-11-22-20(26)19(24)16-5-3-2-4-6-16/h2-10,13-14,19H,11-12H2,1H3,(H,22,26).
What are the key properties of 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one?
4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one has a molecular weight of 360.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 126802300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).