(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone

C16H20N4O3S — CID 51100591

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4O3S/c1-2-24(22,23)19-12-10-18(11-13-19)16(21)15-8-9-20(17-15)14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3
InChIKeyZWFRTCNTYGMDHL-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.98
Rot. Bonds4

About (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone

(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone (PubChem CID 51100591) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
PubChem CID51100591
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4O3S/c1-2-24(22,23)19-12-10-18(11-13-19)16(21)15-8-9-20(17-15)14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3
InChIKeyZWFRTCNTYGMDHL-UHFFFAOYSA-N
XLogP0.98
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 38820717
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
4-ethylsulfonyl-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105103910
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
CID 55668651
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone (CID 51100591) is (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is ZWFRTCNTYGMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-24(22,23)19-12-10-18(11-13-19)16(21)15-8-9-20(17-15)14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 348.43 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 51100591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).