1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C21H24N4O — CID 2950698

IUPAC1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C21H24N4O/c26-21(25-20(11-12-22-25)18-7-3-1-4-8-18)17-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,12,20H,11,13-17H2
InChIKeyVHEIMYWBEICIIK-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2950698) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2950698
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C21H24N4O/c26-21(25-20(11-12-22-25)18-7-3-1-4-8-18)17-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,12,20H,11,13-17H2
InChIKeyVHEIMYWBEICIIK-UHFFFAOYSA-N
XLogP2.77
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4886386
2-diazo-N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylacetamide
CID 136215369
1,5-Dimethyl-2-phenyl-4-[(E)-3-phenyl-prop-2-en-(E)-ylideneamino]-2,4-dihydro-pyrazol-3-one
CID 6123792
N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 12741870
[(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
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3245318
4-phenyl-N-(3-phenyl-2-propen-1-ylidene)-1-piperazinamine
CID 5540418
(E)-N'-benzylidene-2-(3,4-dihydroquinolin-1(2H)-yl)acetohydrazide
CID 9646475
N-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 12741871
2-azido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 12782345
4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)propyl)-5-vinylpyridazin-3(2H)-one
CID 44596863

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 2950698) is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccc2)CC1)N1N=CCC1c1ccccc1.
What is the InChIKey of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is VHEIMYWBEICIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(25-20(11-12-22-25)18-7-3-1-4-8-18)17-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,12,20H,11,13-17H2.
What are the key properties of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2950698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).