[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

C22H28N4O2 — CID 75234418

IUPAC[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C2CC(C(=O)N3CCN(c4ccc(C)cc4)CC3)NN2)c1
InChIInChI=1S/C22H28N4O2/c1-16-6-8-18(9-7-16)25-10-12-26(13-11-25)22(27)21-15-20(23-24-21)17-4-3-5-19(14-17)28-2/h3-9,14,20-21,23-24H,10-13,15H2,1-2H3
InChIKeyORPYUKBSSVLXTC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.26
Rot. Bonds4

About [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (PubChem CID 75234418) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
PubChem CID75234418
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C2CC(C(=O)N3CCN(c4ccc(C)cc4)CC3)NN2)c1
InChIInChI=1S/C22H28N4O2/c1-16-6-8-18(9-7-16)25-10-12-26(13-11-25)22(27)21-15-20(23-24-21)17-4-3-5-19(14-17)28-2/h3-9,14,20-21,23-24H,10-13,15H2,1-2H3
InChIKeyORPYUKBSSVLXTC-UHFFFAOYSA-N
XLogP2.26
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75283629
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[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
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 75255128
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazin-1-yl]-[5-(3-methoxyphenyl)pyrazolidin-3-yl]methanone
CID 74912409
(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44509797
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (CID 75234418) is [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is COc1cccc(C2CC(C(=O)N3CCN(c4ccc(C)cc4)CC3)NN2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is ORPYUKBSSVLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-6-8-18(9-7-16)25-10-12-26(13-11-25)22(27)21-15-20(23-24-21)17-4-3-5-19(14-17)28-2/h3-9,14,20-21,23-24H,10-13,15H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75234418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).