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

C7H10N4O3S — CID 141411251

IUPAC(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
SMILESCS(=O)(=O)n1ncc2c1CN[C@H]2C(N)=O
InChIInChI=1S/C7H10N4O3S/c1-15(13,14)11-5-3-9-6(7(8)12)4(5)2-10-11/h2,6,9H,3H2,1H3,(H2,8,12)/t6-/m1/s1
InChIKeyXNSVBAKPTVWHCZ-ZCFIWIBFSA-N
MW230.25 g/mol
LogP-1.68
Rot. Bonds2

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

(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide (PubChem CID 141411251) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
PubChem CID141411251
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
SMILESCS(=O)(=O)n1ncc2c1CN[C@H]2C(N)=O
InChIInChI=1S/C7H10N4O3S/c1-15(13,14)11-5-3-9-6(7(8)12)4(5)2-10-11/h2,6,9H,3H2,1H3,(H2,8,12)/t6-/m1/s1
InChIKeyXNSVBAKPTVWHCZ-ZCFIWIBFSA-N
XLogP-1.68
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-1.68
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)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411241
(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
4-(Tert-butylcarbamoyl)-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 174771134

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The IUPAC name of (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide (CID 141411251) is (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide.
What is the SMILES notation for (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The canonical SMILES for (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide is CS(=O)(=O)n1ncc2c1CN[C@H]2C(N)=O.
What is the InChIKey of (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The InChIKey is XNSVBAKPTVWHCZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-15(13,14)11-5-3-9-6(7(8)12)4(5)2-10-11/h2,6,9H,3H2,1H3,(H2,8,12)/t6-/m1/s1.
What are the key properties of (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide has a molecular weight of 230.25 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide is sourced from PubChem (CID 141411251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).