1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine

C21H24N4O2S — CID 20914787

IUPAC1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)c1
InChIInChI=1S/C21H24N4O2S/c1-17-4-5-18(2)21(16-17)23-12-14-24(15-13-23)28(26,27)20-8-6-19(7-9-20)25-11-3-10-22-25/h3-11,16H,12-15H2,1-2H3
InChIKeyNJHHTOSABSJODK-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.00
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine

1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine (PubChem CID 20914787) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
PubChem CID20914787
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)c1
InChIInChI=1S/C21H24N4O2S/c1-17-4-5-18(2)21(16-17)23-12-14-24(15-13-23)28(26,27)20-8-6-19(7-9-20)25-11-3-10-22-25/h3-11,16H,12-15H2,1-2H3
InChIKeyNJHHTOSABSJODK-UHFFFAOYSA-N
XLogP3.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20876188
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338163
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3714109

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine (CID 20914787) is 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine?
The InChIKey is NJHHTOSABSJODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-17-4-5-18(2)21(16-17)23-12-14-24(15-13-23)28(26,27)20-8-6-19(7-9-20)25-11-3-10-22-25/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine?
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine has a molecular weight of 396.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 20914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).