[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone

C24H28N4O2 — CID 10001274

IUPAC[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
SMILESCOc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-5-6-21(15-18(17)2)26-11-13-27(14-12-26)24(29)23-16-19(3)25-28(23)20-7-9-22(30-4)10-8-20/h5-10,15-16H,11-14H2,1-4H3
InChIKeySWFUAPQSAOUKRS-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.77
Rot. Bonds4

About [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone

[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone (PubChem CID 10001274) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
PubChem CID10001274
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
SMILESCOc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-5-6-21(15-18(17)2)26-11-13-27(14-12-26)24(29)23-16-19(3)25-28(23)20-7-9-22(30-4)10-8-20/h5-10,15-16H,11-14H2,1-4H3
InChIKeySWFUAPQSAOUKRS-UHFFFAOYSA-N
XLogP3.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10411191
[3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42662433
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10069792
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 3333469
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]methanone
CID 91168556
[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3931977

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone (CID 10001274) is [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone is COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The InChIKey is SWFUAPQSAOUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-5-6-21(15-18(17)2)26-11-13-27(14-12-26)24(29)23-16-19(3)25-28(23)20-7-9-22(30-4)10-8-20/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 10001274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).