1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

C20H30N4O2S — CID 22208300

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCc1c(CN2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cnn1C
InChIInChI=1S/C20H30N4O2S/c1-16(2)13-18-5-7-20(8-6-18)27(25,26)24-11-9-23(10-12-24)15-19-14-21-22(4)17(19)3/h5-8,14,16H,9-13,15H2,1-4H3
InChIKeyJMZIXJGYVDZLRJ-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.43
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (PubChem CID 22208300) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
PubChem CID22208300
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCc1c(CN2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cnn1C
InChIInChI=1S/C20H30N4O2S/c1-16(2)13-18-5-7-20(8-6-18)27(25,26)24-11-9-23(10-12-24)15-19-14-21-22(4)17(19)3/h5-8,14,16H,9-13,15H2,1-4H3
InChIKeyJMZIXJGYVDZLRJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208
1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22207993
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208347
1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208310
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-(2,5-difluorophenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331887
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208305
1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208397
2-methyl-1-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796956
1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208399

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (CID 22208300) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is Cc1c(CN2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The InChIKey is JMZIXJGYVDZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-16(2)13-18-5-7-20(8-6-18)27(25,26)24-11-9-23(10-12-24)15-19-14-21-22(4)17(19)3/h5-8,14,16H,9-13,15H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine has a molecular weight of 390.55 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 22208300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).