[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C15H22N6O3S — CID 19478252

IUPAC[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H22N6O3S/c1-11-14(12(2)19(4)17-11)15(22)20-5-7-21(8-6-20)25(23,24)13-9-16-18(3)10-13/h9-10H,5-8H2,1-4H3
InChIKeyOXXLSZTVWHWCTC-UHFFFAOYSA-N
MW366.45 g/mol
LogP-0.08
Rot. Bonds3

About [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 19478252) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID19478252
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H22N6O3S/c1-11-14(12(2)19(4)17-11)15(22)20-5-7-21(8-6-20)25(23,24)13-9-16-18(3)10-13/h9-10H,5-8H2,1-4H3
InChIKeyOXXLSZTVWHWCTC-UHFFFAOYSA-N
XLogP-0.08
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
(4-bromo-1,5-dimethylpyrazol-3-yl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19279365
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one
CID 19553745
3-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 91629403
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33222733
[1-[(4-bromopyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19472531
2-(5-methylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 19527465
(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 55905760
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19518891

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 19478252) is [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is OXXLSZTVWHWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-11-14(12(2)19(4)17-11)15(22)20-5-7-21(8-6-20)25(23,24)13-9-16-18(3)10-13/h9-10H,5-8H2,1-4H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 366.45 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 19478252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).