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

C16H22N4O — CID 69478677

IUPAC2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-18-9-11-19(12-10-18)13-16(21)20-15(7-8-17-20)14-5-3-2-4-6-14/h2-6,8,15H,7,9-13H2,1H3
InChIKeyMLRLMODQXRSRCE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.19
Rot. Bonds3

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

2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 69478677) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID69478677
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-18-9-11-19(12-10-18)13-16(21)20-15(7-8-17-20)14-5-3-2-4-6-14/h2-6,8,15H,7,9-13H2,1H3
InChIKeyMLRLMODQXRSRCE-UHFFFAOYSA-N
XLogP1.19
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(S)-2,2-Dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 122703613
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
1-[3-(3-Fluorophenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 122703743
2-(4-Ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4886386
1-[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 2951003
Pkumdl_MH_1001
CID 11841193
1-[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]-4-phenylpiperazine
CID 2950698
N-benzyl-2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxoacetamide
CID 2854714
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703578
2,2,2-Trifluoro-1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703611
2,2-Dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 122703665

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 69478677) is 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is MLRLMODQXRSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-18-9-11-19(12-10-18)13-16(21)20-15(7-8-17-20)14-5-3-2-4-6-14/h2-6,8,15H,7,9-13H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 69478677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).