1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C15H22N6O3S — CID 19527683

IUPAC1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1
InChIInChI=1S/C15H22N6O3S/c1-12-8-17-20(10-12)11-15(22)19-4-6-21(7-5-19)25(23,24)14-9-16-18(3)13(14)2/h8-10H,4-7,11H2,1-3H3
InChIKeyNHLNOCQOSBKONS-UHFFFAOYSA-N
MW366.45 g/mol
LogP-0.23
Rot. Bonds4

About 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 19527683) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID19527683
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1
InChIInChI=1S/C15H22N6O3S/c1-12-8-17-20(10-12)11-15(22)19-4-6-21(7-5-19)25(23,24)14-9-16-18(3)13(14)2/h8-10H,4-7,11H2,1-3H3
InChIKeyNHLNOCQOSBKONS-UHFFFAOYSA-N
XLogP-0.23
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 19531348
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479016
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 95613155
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 87040560
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479040
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 19527683) is 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1.
What is the InChIKey of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is NHLNOCQOSBKONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-12-8-17-20(10-12)11-15(22)19-4-6-21(7-5-19)25(23,24)14-9-16-18(3)13(14)2/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 366.45 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 19527683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).