[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

C23H30N4O3 — CID 75283629

IUPAC[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCN(c4ccc(C)cc4)CC3)NN2)c(OC)c1
InChIInChI=1S/C23H30N4O3/c1-16-4-6-17(7-5-16)26-10-12-27(13-11-26)23(28)21-15-20(24-25-21)19-9-8-18(29-2)14-22(19)30-3/h4-9,14,20-21,24-25H,10-13,15H2,1-3H3
InChIKeyFYAJMLNACZHQDI-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.27
Rot. Bonds5

About [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (PubChem CID 75283629) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
PubChem CID75283629
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCN(c4ccc(C)cc4)CC3)NN2)c(OC)c1
InChIInChI=1S/C23H30N4O3/c1-16-4-6-17(7-5-16)26-10-12-27(13-11-26)23(28)21-15-20(24-25-21)19-9-8-18(29-2)14-22(19)30-3/h4-9,14,20-21,24-25H,10-13,15H2,1-3H3
InChIKeyFYAJMLNACZHQDI-UHFFFAOYSA-N
XLogP2.27
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75234418
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
CID 134067077
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106
[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 75261621
N-(2,5-difluorophenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255014
5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75283576

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (CID 75283629) is [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is COc1ccc(C2CC(C(=O)N3CCN(c4ccc(C)cc4)CC3)NN2)c(OC)c1.
What is the InChIKey of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is FYAJMLNACZHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-4-6-17(7-5-16)26-10-12-27(13-11-26)23(28)21-15-20(24-25-21)19-9-8-18(29-2)14-22(19)30-3/h4-9,14,20-21,24-25H,10-13,15H2,1-3H3.
What are the key properties of [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75283629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).