(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C11H18N4O3S — CID 20910824

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(C)[nH]n2)CC1
InChIInChI=1S/C11H18N4O3S/c1-3-19(17,18)15-6-4-14(5-7-15)11(16)10-8-9(2)12-13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyCNSQNFSQGOAALE-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.17
Rot. Bonds3

About (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 20910824) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID20910824
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(C)[nH]n2)CC1
InChIInChI=1S/C11H18N4O3S/c1-3-19(17,18)15-6-4-14(5-7-15)11(16)10-8-9(2)12-13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyCNSQNFSQGOAALE-UHFFFAOYSA-N
XLogP-0.17
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-butylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328591
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 60520699
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110328587
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
CID 110328586
(5-methyl-1H-pyrazol-3-yl)-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110328631
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328604
3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110804798
2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 22594058

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 20910824) is (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2cc(C)[nH]n2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is CNSQNFSQGOAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-19(17,18)15-6-4-14(5-7-15)11(16)10-8-9(2)12-13-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 286.36 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 20910824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).