1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine

C16H22N4O2S — CID 6464932

IUPAC1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C16H22N4O2S/c1-2-19-14-16(12-17-19)23(21,22)20-10-8-18(9-11-20)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3
InChIKeyXNRKMXVVSIVSBP-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.41
Rot. Bonds5

About 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine

1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 6464932) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID6464932
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C16H22N4O2S/c1-2-19-14-16(12-17-19)23(21,22)20-10-8-18(9-11-20)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3
InChIKeyXNRKMXVVSIVSBP-UHFFFAOYSA-N
XLogP1.41
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 56836673
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1-(2-chloro-4-fluorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465363
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine (CID 6464932) is 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is XNRKMXVVSIVSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-19-14-16(12-17-19)23(21,22)20-10-8-18(9-11-20)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3.
What are the key properties of 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 334.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 6464932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).