5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one

C14H17N3O — CID 83851141

IUPAC5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCC1c2c(n(C)[nH]c2=O)CN1Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-10-13-12(16(2)15-14(13)18)9-17(10)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyXWUZWMDIWMOQQY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds2

About 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one

5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83851141) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID83851141
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCC1c2c(n(C)[nH]c2=O)CN1Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-10-13-12(16(2)15-14(13)18)9-17(10)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyXWUZWMDIWMOQQY-UHFFFAOYSA-N
XLogP1.79
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
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(4S,5R,6S)-1-benzyl-4,5,6-trimethylpiperidin-3-one
CID 99723982
1-benzyl-2,5-dimethylpiperidin-3-one
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CID 129362839
1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
CID 174765027
5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
CID 83850274
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one (CID 83851141) is 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one is CC1c2c(n(C)[nH]c2=O)CN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is XWUZWMDIWMOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13-12(16(2)15-14(13)18)9-17(10)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,4-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83851141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).