N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide

C9H16N4O2S — CID 59820646

IUPACN-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide
SMILESCN1Cc2nn(C)c(N(C)S(C)(=O)=O)c2C1
InChIInChI=1S/C9H16N4O2S/c1-11-5-7-8(6-11)10-12(2)9(7)13(3)16(4,14)15/h5-6H2,1-4H3
InChIKeyZFIZEHCAAPTARU-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.24
Rot. Bonds2

About N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide

N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide (PubChem CID 59820646) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide
PubChem CID59820646
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide
SMILESCN1Cc2nn(C)c(N(C)S(C)(=O)=O)c2C1
InChIInChI=1S/C9H16N4O2S/c1-11-5-7-8(6-11)10-12(2)9(7)13(3)16(4,14)15/h5-6H2,1-4H3
InChIKeyZFIZEHCAAPTARU-UHFFFAOYSA-N
XLogP-0.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide (CID 59820646) is N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide is CN1Cc2nn(C)c(N(C)S(C)(=O)=O)c2C1.
What is the InChIKey of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide?
The InChIKey is ZFIZEHCAAPTARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-11-5-7-8(6-11)10-12(2)9(7)13(3)16(4,14)15/h5-6H2,1-4H3.
What are the key properties of N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide?
N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 59820646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).