5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole

C12H17N5O2S — CID 97405325

IUPAC5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCCS(=O)(=O)N1Cc2c(Cn3ccnc3)nn(C)c2C1
InChIInChI=1S/C12H17N5O2S/c1-3-20(18,19)17-6-10-11(7-16-5-4-13-9-16)14-15(2)12(10)8-17/h4-5,9H,3,6-8H2,1-2H3
InChIKeyPQIVKWULNZHFPW-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.33
Rot. Bonds4

About 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole

5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 97405325) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID97405325
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCCS(=O)(=O)N1Cc2c(Cn3ccnc3)nn(C)c2C1
InChIInChI=1S/C12H17N5O2S/c1-3-20(18,19)17-6-10-11(7-16-5-4-13-9-16)14-15(2)12(10)8-17/h4-5,9H,3,6-8H2,1-2H3
InChIKeyPQIVKWULNZHFPW-UHFFFAOYSA-N
XLogP0.33
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 97405325) is 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole is CCS(=O)(=O)N1Cc2c(Cn3ccnc3)nn(C)c2C1.
What is the InChIKey of 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is PQIVKWULNZHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-20(18,19)17-6-10-11(7-16-5-4-13-9-16)14-15(2)12(10)8-17/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 295.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 97405325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).