(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide

C8H12N4O3S — CID 141411241

IUPAC(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
SMILESCNC(=O)[C@@H]1NCc2c1cnn2S(C)(=O)=O
InChIInChI=1S/C8H12N4O3S/c1-9-8(13)7-5-3-11-12(16(2,14)15)6(5)4-10-7/h3,7,10H,4H2,1-2H3,(H,9,13)/t7-/m1/s1
InChIKeyWFNWGRZTHJRVPU-SSDOTTSWSA-N
MW244.28 g/mol
LogP-1.42
Rot. Bonds2

About (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide

(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide (PubChem CID 141411241) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
PubChem CID141411241
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
SMILESCNC(=O)[C@@H]1NCc2c1cnn2S(C)(=O)=O
InChIInChI=1S/C8H12N4O3S/c1-9-8(13)7-5-3-11-12(16(2,14)15)6(5)4-10-7/h3,7,10H,4H2,1-2H3,(H,9,13)/t7-/m1/s1
InChIKeyWFNWGRZTHJRVPU-SSDOTTSWSA-N
XLogP-1.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-5-[2-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-oxoethyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 178314310
2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxamide dihydrochloride
CID 137963882
2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxamide
CID 137963883
methyl (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylate
CID 141411237
(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
CID 141411248
(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411251
(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411255
1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411275
tert-butyl (4R)-4-(methylcarbamoyl)-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 152119661
tert-butyl (4S)-4-carbamoyl-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 152440729
tert-butyl (4R)-4-carbamoyl-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 153940572
N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 174771124

Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The IUPAC name of (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide (CID 141411241) is (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide.
What is the SMILES notation for (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The canonical SMILES for (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide is CNC(=O)[C@@H]1NCc2c1cnn2S(C)(=O)=O.
What is the InChIKey of (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The InChIKey is WFNWGRZTHJRVPU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-9-8(13)7-5-3-11-12(16(2,14)15)6(5)4-10-7/h3,7,10H,4H2,1-2H3,(H,9,13)/t7-/m1/s1.
What are the key properties of (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide has a molecular weight of 244.28 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide is sourced from PubChem (CID 141411241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).