4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one

C21H22N4O — CID 70775532

IUPAC4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one
SMILESCc1cc(-n2cccn2)ccc1CN1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C21H22N4O/c1-17-14-20(25-11-5-10-22-25)9-8-18(17)15-23-12-13-24(21(26)16-23)19-6-3-2-4-7-19/h2-11,14H,12-13,15-16H2,1H3
InChIKeyHQBHIDOYXMRVHC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.03
Rot. Bonds4

About 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one

4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one (PubChem CID 70775532) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one
PubChem CID70775532
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one
SMILESCc1cc(-n2cccn2)ccc1CN1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C21H22N4O/c1-17-14-20(25-11-5-10-22-25)9-8-18(17)15-23-12-13-24(21(26)16-23)19-6-3-2-4-7-19/h2-11,14H,12-13,15-16H2,1H3
InChIKeyHQBHIDOYXMRVHC-UHFFFAOYSA-N
XLogP3.03
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
CID 131946303
4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70692446
2-[1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45244168
1-(3,5-dimethylphenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazin-2-one
CID 56891187
N,N-dimethyl-1-[(6R)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 95714202
N,N-dimethyl-1-[4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 56891183
N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 45190792
N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
CID 155063541
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 26275022
2-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrazole
CID 175305227
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one (CID 70775532) is 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one is Cc1cc(-n2cccn2)ccc1CN1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one?
The InChIKey is HQBHIDOYXMRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-17-14-20(25-11-5-10-22-25)9-8-18(17)15-23-12-13-24(21(26)16-23)19-6-3-2-4-7-19/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one?
4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one has a molecular weight of 346.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 70775532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).