1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

C20H30N4O2S — CID 22208399

IUPAC1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H30N4O2S/c1-15(2)18-6-8-19(9-7-18)27(25,26)24-12-10-23(11-13-24)14-20-16(3)21-22(5)17(20)4/h6-9,15H,10-14H2,1-5H3
InChIKeyADZKQYFMIFCJND-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208399) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
PubChem CID22208399
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H30N4O2S/c1-15(2)18-6-8-19(9-7-18)27(25,26)24-12-10-23(11-13-24)14-20-16(3)21-22(5)17(20)4/h6-9,15H,10-14H2,1-5H3
InChIKeyADZKQYFMIFCJND-UHFFFAOYSA-N
XLogP2.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208397
1-(3-chlorophenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331809
1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208424
3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chloro-4-fluorophenyl)sulfonylpiperazine
CID 78833769
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
(2S)-2-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8819224
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
CID 10411910

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (CID 22208399) is 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is ADZKQYFMIFCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-15(2)18-6-8-19(9-7-18)27(25,26)24-12-10-23(11-13-24)14-20-16(3)21-22(5)17(20)4/h6-9,15H,10-14H2,1-5H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 390.55 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).