2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C10H17N3O — CID 83847633

IUPAC2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC(C)CC1NCc2c1[nH]n(C)c2=O
InChIInChI=1S/C10H17N3O/c1-6(2)4-8-9-7(5-11-8)10(14)13(3)12-9/h6,8,11-12H,4-5H2,1-3H3
InChIKeyORVKUJCYFMAEHE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.90
Rot. Bonds2

About 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83847633) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID83847633
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC(C)CC1NCc2c1[nH]n(C)c2=O
InChIInChI=1S/C10H17N3O/c1-6(2)4-8-9-7(5-11-8)10(14)13(3)12-9/h6,8,11-12H,4-5H2,1-3H3
InChIKeyORVKUJCYFMAEHE-UHFFFAOYSA-N
XLogP0.90
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(2-methylpropyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83847631
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
CID 83845996
1-methyl-5-(2-methylpropyl)piperazin-2-one
CID 44630637
(6R)-6-(2-methylpropyl)piperidin-3-one
CID 159496967
5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257953
5-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242760
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
(3S,6R)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 162908531
2-methyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 82413792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 83847633) is 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC(C)CC1NCc2c1[nH]n(C)c2=O.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is ORVKUJCYFMAEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)4-8-9-7(5-11-8)10(14)13(3)12-9/h6,8,11-12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83847633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).