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

C22H27ClN4O3 — CID 134098841

IUPAC(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccc(Cl)cc4OC)CC3)NN2)cc1
InChIInChI=1S/C22H27ClN4O3/c1-29-17-6-3-15(4-7-17)19-14-21(25-24-19)26-9-11-27(12-10-26)22(28)18-8-5-16(23)13-20(18)30-2/h3-8,13,19,21,24-25H,9-12,14H2,1-2H3
InChIKeyXRYTWPMCNDFEKX-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.68
Rot. Bonds5

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

(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 134098841) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
PubChem CID134098841
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccc(Cl)cc4OC)CC3)NN2)cc1
InChIInChI=1S/C22H27ClN4O3/c1-29-17-6-3-15(4-7-17)19-14-21(25-24-19)26-9-11-27(12-10-26)22(28)18-8-5-16(23)13-20(18)30-2/h3-8,13,19,21,24-25H,9-12,14H2,1-2H3
InChIKeyXRYTWPMCNDFEKX-UHFFFAOYSA-N
XLogP2.68
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098796
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 134088281
1-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 134088298
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134088288
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38322173

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (CID 134098841) is (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is COc1ccc(C2CC(N3CCN(C(=O)c4ccc(Cl)cc4OC)CC3)NN2)cc1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is XRYTWPMCNDFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-29-17-6-3-15(4-7-17)19-14-21(25-24-19)26-9-11-27(12-10-26)22(28)18-8-5-16(23)13-20(18)30-2/h3-8,13,19,21,24-25H,9-12,14H2,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 430.94 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134098841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).