1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine

C17H24N4O2S — CID 22208310

IUPAC1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1C
InChIInChI=1S/C17H24N4O2S/c1-15-17(12-18-19(15)2)13-20-8-10-21(11-9-20)24(22,23)14-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyRMDZFKSFKWXHRZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.38
Rot. Bonds5

About 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine

1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208310) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID22208310
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1C
InChIInChI=1S/C17H24N4O2S/c1-15-17(12-18-19(15)2)13-20-8-10-21(11-9-20)24(22,23)14-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyRMDZFKSFKWXHRZ-UHFFFAOYSA-N
XLogP1.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208461
1-methyl-5-[[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 136574079
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22208300
1-benzylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 2171509
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
1-(2,5-difluorophenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331887
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486
1-benzylsulfonyl-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 75504319
1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208305
1-benzyl-4-[(3-iodophenyl)methylsulfonyl]piperazine
CID 71699058
1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine
CID 126812465

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine (CID 22208310) is 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine is Cc1c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1C.
What is the InChIKey of 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is RMDZFKSFKWXHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-15-17(12-18-19(15)2)13-20-8-10-21(11-9-20)24(22,23)14-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine?
1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).