3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C18H16N4O — CID 662284

IUPAC3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1
InChIInChI=1S/C18H16N4O/c1-11-6-8-13(9-7-11)22-17(14-5-3-4-10-19-14)15-12(2)20-21-16(15)18(22)23/h3-10,17H,1-2H3,(H,20,21)
InChIKeyHUOLKQUXHJEHAR-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.17
Rot. Bonds2

About 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 662284) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID662284
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1
InChIInChI=1S/C18H16N4O/c1-11-6-8-13(9-7-11)22-17(14-5-3-4-10-19-14)15-12(2)20-21-16(15)18(22)23/h3-10,17H,1-2H3,(H,20,21)
InChIKeyHUOLKQUXHJEHAR-UHFFFAOYSA-N
XLogP3.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 662284) is 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is HUOLKQUXHJEHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-6-8-13(9-7-11)22-17(14-5-3-4-10-19-14)15-12(2)20-21-16(15)18(22)23/h3-10,17H,1-2H3,(H,20,21).
What are the key properties of 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 304.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 662284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).