1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole

C17H27N5O2S — CID 91923882

IUPAC1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ncc(C)n2C(C)C)C1
InChIInChI=1S/C17H27N5O2S/c1-11(2)22-12(3)9-18-17(22)15-7-8-21(10-15)25(23,24)16-13(4)19-20(6)14(16)5/h9,11,15H,7-8,10H2,1-6H3
InChIKeyAZIIHHQRMZUUEL-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.30
Rot. Bonds4

About 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole

1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 91923882) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
PubChem CID91923882
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ncc(C)n2C(C)C)C1
InChIInChI=1S/C17H27N5O2S/c1-11(2)22-12(3)9-18-17(22)15-7-8-21(10-15)25(23,24)16-13(4)19-20(6)14(16)5/h9,11,15H,7-8,10H2,1-6H3
InChIKeyAZIIHHQRMZUUEL-UHFFFAOYSA-N
XLogP2.30
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole (CID 91923882) is 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ncc(C)n2C(C)C)C1.
What is the InChIKey of 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is AZIIHHQRMZUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-11(2)22-12(3)9-18-17(22)15-7-8-21(10-15)25(23,24)16-13(4)19-20(6)14(16)5/h9,11,15H,7-8,10H2,1-6H3.
What are the key properties of 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 365.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 91923882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).