4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

C16H26N6O2S — CID 128993133

IUPAC4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C)C(c2ncc[nH]2)C1
InChIInChI=1S/C16H26N6O2S/c1-5-12-15(13(6-2)21(4)19-12)25(23,24)22-10-9-20(3)14(11-22)16-17-7-8-18-16/h7-8,14H,5-6,9-11H2,1-4H3,(H,17,18)
InChIKeyISOPLFILVWKSSI-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.95
Rot. Bonds5

About 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 128993133) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID128993133
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C)C(c2ncc[nH]2)C1
InChIInChI=1S/C16H26N6O2S/c1-5-12-15(13(6-2)21(4)19-12)25(23,24)22-10-9-20(3)14(11-22)16-17-7-8-18-16/h7-8,14H,5-6,9-11H2,1-4H3,(H,17,18)
InChIKeyISOPLFILVWKSSI-UHFFFAOYSA-N
XLogP0.95
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330663
(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
CID 129338185
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
(2S)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129333291
(2S)-4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330517
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 129338621
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 129334414
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748
(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129334154
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129000338
(2S)-4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329058
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129001116

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 128993133) is 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C)C(c2ncc[nH]2)C1.
What is the InChIKey of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is ISOPLFILVWKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-5-12-15(13(6-2)21(4)19-12)25(23,24)22-10-9-20(3)14(11-22)16-17-7-8-18-16/h7-8,14H,5-6,9-11H2,1-4H3,(H,17,18).
What are the key properties of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 366.49 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 128993133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).