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

C18H26N4O2S — CID 22208461

IUPAC1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C18H26N4O2S/c1-3-21-14-18(16(2)19-21)13-20-9-11-22(12-10-20)25(23,24)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeyQIXLHMMANKUKIB-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.86
Rot. Bonds6

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

1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208461) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
PubChem CID22208461
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C18H26N4O2S/c1-3-21-14-18(16(2)19-21)13-20-9-11-22(12-10-20)25(23,24)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeyQIXLHMMANKUKIB-UHFFFAOYSA-N
XLogP1.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208310
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208447
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46972416
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19333939
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 110261906
1-benzylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 2171509

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine (CID 22208461) is 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine is CCn1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1.
What is the InChIKey of 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is QIXLHMMANKUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-21-14-18(16(2)19-21)13-20-9-11-22(12-10-20)25(23,24)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3.
What are the key properties of 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 362.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).