1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine

C15H20N4O2S — CID 134071888

IUPAC1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H20N4O2S/c1-17(2)10-14-13-9-19(11-15(13)18(3)16-14)22(20,21)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyXWDVNRRHGOPWRL-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.19
Rot. Bonds4

About 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine

1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 134071888) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine
PubChem CID134071888
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H20N4O2S/c1-17(2)10-14-13-9-19(11-15(13)18(3)16-14)22(20,21)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyXWDVNRRHGOPWRL-UHFFFAOYSA-N
XLogP1.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine (CID 134071888) is 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is XWDVNRRHGOPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-17(2)10-14-13-9-19(11-15(13)18(3)16-14)22(20,21)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine?
1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 320.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134071888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).