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

C21H26N4O2 — CID 134098789

IUPAC[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccccc4)CC3)NN2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-18-9-7-16(8-10-18)19-15-20(23-22-19)24-11-13-25(14-12-24)21(26)17-5-3-2-4-6-17/h2-10,19-20,22-23H,11-15H2,1H3
InChIKeyUTDBPKLUCYEDLZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.02
Rot. Bonds4

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

[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 134098789) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID134098789
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccccc4)CC3)NN2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-18-9-7-16(8-10-18)19-15-20(23-22-19)24-11-13-25(14-12-24)21(26)17-5-3-2-4-6-17/h2-10,19-20,22-23H,11-15H2,1H3
InChIKeyUTDBPKLUCYEDLZ-UHFFFAOYSA-N
XLogP2.02
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.02
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-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
2-(2-bromophenyl)-1-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 134088203
1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 75950258
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 134098789) is [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone is COc1ccc(C2CC(N3CCN(C(=O)c4ccccc4)CC3)NN2)cc1.
What is the InChIKey of [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is UTDBPKLUCYEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-18-9-7-16(8-10-18)19-15-20(23-22-19)24-11-13-25(14-12-24)21(26)17-5-3-2-4-6-17/h2-10,19-20,22-23H,11-15H2,1H3.
What are the key properties of [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 366.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 134098789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).