5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one

C13H15N3O — CID 105486750

IUPAC5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCc1ccccc1-n1[nH]c(=O)c2c1CN(C)C2
InChIInChI=1S/C13H15N3O/c1-9-5-3-4-6-11(9)16-12-8-15(2)7-10(12)13(17)14-16/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyATODSQFUQUBGOJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds1

About 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one

5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 105486750) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID105486750
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCc1ccccc1-n1[nH]c(=O)c2c1CN(C)C2
InChIInChI=1S/C13H15N3O/c1-9-5-3-4-6-11(9)16-12-8-15(2)7-10(12)13(17)14-16/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyATODSQFUQUBGOJ-UHFFFAOYSA-N
XLogP1.42
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83887677
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5-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 155579307
2-(2-methylphenyl)-1H-benzo[f]indazole-3,4,9-trione
CID 167525461
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CID 96582225
1-(2-methylphenyl)pyrrolidin-3-one
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1,3,5-trimethyl-4H-quinazolin-2-one
CID 89335300
4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 83881501
3-(2-methylphenyl)-1,3,4-thiadiazolidine-2,5-dithione
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1-(2-methylphenyl)-1,4-diazepan-2-one
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(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 2427470

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one (CID 105486750) is 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one is Cc1ccccc1-n1[nH]c(=O)c2c1CN(C)C2.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is ATODSQFUQUBGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-5-3-4-6-11(9)16-12-8-15(2)7-10(12)13(17)14-16/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one?
5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 229.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105486750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).