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

C23H30N4O2 — CID 134098851

IUPAC(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4cc(C)ccc4C)CC3)NN2)cc1
InChIInChI=1S/C23H30N4O2/c1-16-4-5-17(2)20(14-16)23(28)27-12-10-26(11-13-27)22-15-21(24-25-22)18-6-8-19(29-3)9-7-18/h4-9,14,21-22,24-25H,10-13,15H2,1-3H3
InChIKeyYHWJIKYXJFPLPV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.64
Rot. Bonds4

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

(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 134098851) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
PubChem CID134098851
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4cc(C)ccc4C)CC3)NN2)cc1
InChIInChI=1S/C23H30N4O2/c1-16-4-5-17(2)20(14-16)23(28)27-12-10-26(11-13-27)22-15-21(24-25-22)18-6-8-19(29-3)9-7-18/h4-9,14,21-22,24-25H,10-13,15H2,1-3H3
InChIKeyYHWJIKYXJFPLPV-UHFFFAOYSA-N
XLogP2.64
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098817
(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098796
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134088288
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 134088281
(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
2-(2-bromophenyl)-1-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 134088203
1-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 134088298
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (CID 134098851) is (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is COc1ccc(C2CC(N3CCN(C(=O)c4cc(C)ccc4C)CC3)NN2)cc1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is YHWJIKYXJFPLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-4-5-17(2)20(14-16)23(28)27-12-10-26(11-13-27)22-15-21(24-25-22)18-6-8-19(29-3)9-7-18/h4-9,14,21-22,24-25H,10-13,15H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134098851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).