1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine

C17H24N4O2S — CID 22208440

IUPAC1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C17H24N4O2S/c1-3-20-14-16(15(2)18-20)13-19-9-11-21(12-10-19)24(22,23)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3
InChIKeyDVEVPQALSGDTOR-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.72
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine

1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208440) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
PubChem CID22208440
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C17H24N4O2S/c1-3-20-14-16(15(2)18-20)13-19-9-11-21(12-10-19)24(22,23)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3
InChIKeyDVEVPQALSGDTOR-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208447
1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208461
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
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)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46972416
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 56912045
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 110244676
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine (CID 22208440) is 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine is CCn1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is DVEVPQALSGDTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-20-14-16(15(2)18-20)13-19-9-11-21(12-10-19)24(22,23)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).