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

C12H20N4O3S — CID 141411248

IUPAC(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
SMILESCNC(=O)[C@@H]1NCc2c1c(C(C)(C)C)nn2S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)10-8-7(16(15-10)20(5,18)19)6-14-9(8)11(17)13-4/h9,14H,6H2,1-5H3,(H,13,17)/t9-/m1/s1
InChIKeySDWFAIBNKSGSRH-SECBINFHSA-N
MW300.38 g/mol
LogP-0.12
Rot. Bonds2

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

(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide (PubChem CID 141411248) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
PubChem CID141411248
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
SMILESCNC(=O)[C@@H]1NCc2c1c(C(C)(C)C)nn2S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)10-8-7(16(15-10)20(5,18)19)6-14-9(8)11(17)13-4/h9,14H,6H2,1-5H3,(H,13,17)/t9-/m1/s1
InChIKeySDWFAIBNKSGSRH-SECBINFHSA-N
XLogP-0.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411241
(4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
CID 141411257
N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 174771124
3-Tert-butyl-4-(methylcarbamoyl)-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 174771394
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R*,4S*)-1-(methylsulfonyl)-4-propyl-3-pyrrolidinyl]acetamide
CID 72860019
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-(methylsulfonyl)-L-prolinamide
CID 91779451
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-(methylsulfonyl)-L-prolinamide
CID 118774144
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 133129589
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-methylsulfonyl-4-propylpyrrolidin-3-yl)acetamide
CID 156603497

Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
The IUPAC name of (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide (CID 141411248) is (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide.
What is the SMILES notation for (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
The canonical SMILES for (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide is CNC(=O)[C@@H]1NCc2c1c(C(C)(C)C)nn2S(C)(=O)=O.
What is the InChIKey of (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
The InChIKey is SDWFAIBNKSGSRH-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-12(2,3)10-8-7(16(15-10)20(5,18)19)6-14-9(8)11(17)13-4/h9,14H,6H2,1-5H3,(H,13,17)/t9-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide is sourced from PubChem (CID 141411248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).