3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one

C22H22N4O2 — CID 74246405

IUPAC3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-15-19(17-10-6-3-7-11-17)24-25-20(15)22(28)26-13-12-23-21(27)18(26)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyNZKKZSUBNAHZBB-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.57
Rot. Bonds4

About 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one

3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one (PubChem CID 74246405) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
PubChem CID74246405
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-15-19(17-10-6-3-7-11-17)24-25-20(15)22(28)26-13-12-23-21(27)18(26)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyNZKKZSUBNAHZBB-UHFFFAOYSA-N
XLogP2.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)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

3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
CID 92627950
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 45232095
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 29084883
(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 99936115
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one (CID 74246405) is 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one is Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCNC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is NZKKZSUBNAHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-19(17-10-6-3-7-11-17)24-25-20(15)22(28)26-13-12-23-21(27)18(26)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one?
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 374.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 74246405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).