4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one

C21H22N4O2 — CID 139004696

IUPAC4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one
SMILESO=C(CN1CCN(c2ccccc2)C(=O)C1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H22N4O2/c26-20-15-23(13-14-24(20)18-9-5-2-6-10-18)16-21(27)25-12-11-19(22-25)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyDHPNHCUWLPKCAM-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.97
Rot. Bonds4

About 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one

4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one (PubChem CID 139004696) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one
PubChem CID139004696
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one
SMILESO=C(CN1CCN(c2ccccc2)C(=O)C1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H22N4O2/c26-20-15-23(13-14-24(20)18-9-5-2-6-10-18)16-21(27)25-12-11-19(22-25)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyDHPNHCUWLPKCAM-UHFFFAOYSA-N
XLogP1.97
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(1-methyl-4-piperidinyl)-5-phenyl-
CID 56658
1,5-Dimethyl-2-phenyl-4-[(E)-3-phenyl-prop-2-en-(E)-ylideneamino]-2,4-dihydro-pyrazol-3-one
CID 6123792
1-[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]-4-phenylpiperazine
CID 2950698
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone
CID 122703579
(3-Phenyl-3,4-dihydropyrazol-2-yl)-(1-phenylpiperidin-4-yl)methanone
CID 122703581
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide
CID 142149822
2-methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1(2H)-phthalazinone
CID 1074697
6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3(2H)-one
CID 3238871
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3245318
6-(4-methylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3(2H)-one
CID 3550186
N-{2-[4-(3-Chlorophenyl)piperazin-1-YL]ethyl}-2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-YL)acetamide
CID 4067222
2-Benzyl-4-(4-dimethylamino-benzylidene)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5404921

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one (CID 139004696) is 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one is O=C(CN1CCN(c2ccccc2)C(=O)C1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one?
The InChIKey is DHPNHCUWLPKCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20-15-23(13-14-24(20)18-9-5-2-6-10-18)16-21(27)25-12-11-19(22-25)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one?
4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one has a molecular weight of 362.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 139004696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).