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

C21H25BrN4O2 — CID 134098796

IUPAC(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccccc4Br)CC3)NN2)cc1
InChIInChI=1S/C21H25BrN4O2/c1-28-16-8-6-15(7-9-16)19-14-20(24-23-19)25-10-12-26(13-11-25)21(27)17-4-2-3-5-18(17)22/h2-9,19-20,23-24H,10-14H2,1H3
InChIKeyPQSWAHQFEVSZEQ-UHFFFAOYSA-N
MW445.36 g/mol
LogP2.78
Rot. Bonds4

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

(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 134098796) has the molecular formula C21H25BrN4O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
PubChem CID134098796
Molecular FormulaC21H25BrN4O2
Molecular Weight445.36 g/mol
Exact Mass444.12
IUPAC Name(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccccc4Br)CC3)NN2)cc1
InChIInChI=1S/C21H25BrN4O2/c1-28-16-8-6-15(7-9-16)19-14-20(24-23-19)25-10-12-26(13-11-25)21(27)17-4-2-3-5-18(17)22/h2-9,19-20,23-24H,10-14H2,1H3
InChIKeyPQSWAHQFEVSZEQ-UHFFFAOYSA-N
XLogP2.78
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
2-(2-bromophenyl)-1-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 134088203
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098817
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
2-(2-bromophenyl)-1-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]ethanone
CID 134088341
(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
1-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 134088298
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (CID 134098796) is (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is COc1ccc(C2CC(N3CCN(C(=O)c4ccccc4Br)CC3)NN2)cc1.
What is the InChIKey of (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is PQSWAHQFEVSZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c1-28-16-8-6-15(7-9-16)19-14-20(24-23-19)25-10-12-26(13-11-25)21(27)17-4-2-3-5-18(17)22/h2-9,19-20,23-24H,10-14H2,1H3.
What are the key properties of (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 445.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134098796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).