methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate

C15H24N4O5S — CID 110817933

IUPACmethyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H24N4O5S/c1-11-15(12(2)17(3)16-11)25(22,23)19-9-7-18(8-10-19)13(20)5-6-14(21)24-4/h5-10H2,1-4H3
InChIKeyYNLXCQLUZHGDAN-UHFFFAOYSA-N
MW372.45 g/mol
LogP-0.18
Rot. Bonds5

About methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate

methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate (PubChem CID 110817933) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate
PubChem CID110817933
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Namemethyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H24N4O5S/c1-11-15(12(2)17(3)16-11)25(22,23)19-9-7-18(8-10-19)13(20)5-6-14(21)24-4/h5-10H2,1-4H3
InChIKeyYNLXCQLUZHGDAN-UHFFFAOYSA-N
XLogP-0.18
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797691
tert-butyl 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 17380419
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078803
pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 110805442
ethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-oxobutanoate
CID 9151213
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 71843475
4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 91918299
[1-(4-methoxyphenyl)cyclopropyl]-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078829
1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684932
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9221068

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate?
The IUPAC name of methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate (CID 110817933) is methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate?
The canonical SMILES for methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate is COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate?
The InChIKey is YNLXCQLUZHGDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-11-15(12(2)17(3)16-11)25(22,23)19-9-7-18(8-10-19)13(20)5-6-14(21)24-4/h5-10H2,1-4H3.
What are the key properties of methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate?
methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate has a molecular weight of 372.45 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate is sourced from PubChem (CID 110817933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).