[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

C22H24N4O — CID 55465377

IUPAC[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)c1
InChIInChI=1S/C22H24N4O/c1-17-6-5-7-18(14-17)16-25-10-12-26(13-11-25)22(27)20-15-23-24-21(20)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,23,24)
InChIKeyIXWMWGJNDYZYGJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.34
Rot. Bonds4

About [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 55465377) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID55465377
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)c1
InChIInChI=1S/C22H24N4O/c1-17-6-5-7-18(14-17)16-25-10-12-26(13-11-25)22(27)20-15-23-24-21(20)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,23,24)
InChIKeyIXWMWGJNDYZYGJ-UHFFFAOYSA-N
XLogP3.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
furan-2-yl-[4-[5-(3-methylphenyl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone
CID 119069076
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 46655050
(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478030
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(5-amino-2-methylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640078
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 55465377) is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is Cc1cccc(CN2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)c1.
What is the InChIKey of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is IXWMWGJNDYZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-6-5-7-18(14-17)16-25-10-12-26(13-11-25)22(27)20-15-23-24-21(20)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,23,24).
What are the key properties of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 55465377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).