1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine

C17H24N4O2S — CID 90507127

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C17H24N4O2S/c1-12-5-6-13(2)16(11-12)24(22,23)21-9-7-20(8-10-21)17-14(3)18-19-15(17)4/h5-6,11H,7-10H2,1-4H3,(H,18,19)
InChIKeyARDKWCILJDTZSZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine

1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine (PubChem CID 90507127) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
PubChem CID90507127
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C17H24N4O2S/c1-12-5-6-13(2)16(11-12)24(22,23)21-9-7-20(8-10-21)17-14(3)18-19-15(17)4/h5-6,11H,7-10H2,1-4H3,(H,18,19)
InChIKeyARDKWCILJDTZSZ-UHFFFAOYSA-N
XLogP2.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507151
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507124
1-(4-bromophenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507115
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 90507193
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine (CID 90507127) is 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The InChIKey is ARDKWCILJDTZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-5-6-13(2)16(11-12)24(22,23)21-9-7-20(8-10-21)17-14(3)18-19-15(17)4/h5-6,11H,7-10H2,1-4H3,(H,18,19).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine has a molecular weight of 348.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine is sourced from PubChem (CID 90507127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).