1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

C19H28N4O2S — CID 22208397

IUPAC1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C19H28N4O2S/c1-5-17-6-8-18(9-7-17)26(24,25)23-12-10-22(11-13-23)14-19-15(2)20-21(4)16(19)3/h6-9H,5,10-14H2,1-4H3
InChIKeyROKFCBYHXTXCEX-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.11
Rot. Bonds5

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

1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208397) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
PubChem CID22208397
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C19H28N4O2S/c1-5-17-6-8-18(9-7-17)26(24,25)23-12-10-22(11-13-23)14-19-15(2)20-21(4)16(19)3/h6-9H,5,10-14H2,1-4H3
InChIKeyROKFCBYHXTXCEX-UHFFFAOYSA-N
XLogP2.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208399
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-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chloro-4-fluorophenyl)sulfonylpiperazine
CID 78833769
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111950847
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571659

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (CID 22208397) is 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is CCc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is ROKFCBYHXTXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-5-17-6-8-18(9-7-17)26(24,25)23-12-10-22(11-13-23)14-19-15(2)20-21(4)16(19)3/h6-9H,5,10-14H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 376.53 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).