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

C11H18N4O3S — CID 141411257

IUPAC(4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
SMILESCC(C)(C)c1nn(S(C)(=O)=O)c2c1[C@H](C(N)=O)NC2
InChIInChI=1S/C11H18N4O3S/c1-11(2,3)9-7-6(5-13-8(7)10(12)16)15(14-9)19(4,17)18/h8,13H,5H2,1-4H3,(H2,12,16)/t8-/m1/s1
InChIKeyHBDCMXMKUAMAOP-MRVPVSSYSA-N
MW286.36 g/mol
LogP-0.38
Rot. Bonds2

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

(4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide (PubChem CID 141411257) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
PubChem CID141411257
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
SMILESCC(C)(C)c1nn(S(C)(=O)=O)c2c1[C@H](C(N)=O)NC2
InChIInChI=1S/C11H18N4O3S/c1-11(2,3)9-7-6(5-13-8(7)10(12)16)15(14-9)19(4,17)18/h8,13H,5H2,1-4H3,(H2,12,16)/t8-/m1/s1
InChIKeyHBDCMXMKUAMAOP-MRVPVSSYSA-N
XLogP-0.38
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-tert-butyl-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide
CID 141411248
3-Tert-butyl-4-(methylcarbamoyl)-1-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 174771394
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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
The IUPAC name of (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide (CID 141411257) is (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide.
What is the SMILES notation for (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
The canonical SMILES for (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide is CC(C)(C)c1nn(S(C)(=O)=O)c2c1[C@H](C(N)=O)NC2.
What is the InChIKey of (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
The InChIKey is HBDCMXMKUAMAOP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(2,3)9-7-6(5-13-8(7)10(12)16)15(14-9)19(4,17)18/h8,13H,5H2,1-4H3,(H2,12,16)/t8-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide?
(4R)-3-tert-butyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.38, 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-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxamide is sourced from PubChem (CID 141411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).