1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine

C22H26N4O2S — CID 29382416

IUPAC1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O2S/c1-19-22(18-25(23-19)17-21-10-6-3-7-11-21)29(27,28)26-14-12-24(13-15-26)16-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3
InChIKeyKAGJMHJVVSSFTK-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.75
Rot. Bonds6

About 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine

1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 29382416) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID29382416
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O2S/c1-19-22(18-25(23-19)17-21-10-6-3-7-11-21)29(27,28)26-14-12-24(13-15-26)16-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3
InChIKeyKAGJMHJVVSSFTK-UHFFFAOYSA-N
XLogP2.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 17378962
1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 19682701
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
5-(4-benzylpiperazin-1-yl)sulfonyl-4-chloro-2-methylaniline
CID 134081763
1-benzyl-4-(4-methyl-2-nitrophenyl)sulfonylpiperazine
CID 162385737
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 71903213
2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
CID 29384847
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine (CID 29382416) is 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is KAGJMHJVVSSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-19-22(18-25(23-19)17-21-10-6-3-7-11-21)29(27,28)26-14-12-24(13-15-26)16-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3.
What are the key properties of 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 410.54 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 29382416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).