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

C17H15N3O2 — CID 662731

IUPAC4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1
InChIInChI=1S/C17H15N3O2/c1-10-5-7-12(8-6-10)20-16(13-4-3-9-22-13)14-11(2)18-19-15(14)17(20)21/h3-9,16H,1-2H3,(H,18,19)
InChIKeyYSROIMPUTDSXKE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.37
Rot. Bonds2

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

4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 662731) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID662731
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1
InChIInChI=1S/C17H15N3O2/c1-10-5-7-12(8-6-10)20-16(13-4-3-9-22-13)14-11(2)18-19-15(14)17(20)21/h3-9,16H,1-2H3,(H,18,19)
InChIKeyYSROIMPUTDSXKE-UHFFFAOYSA-N
XLogP3.37
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 662731) is 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is YSROIMPUTDSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-5-7-12(8-6-10)20-16(13-4-3-9-22-13)14-11(2)18-19-15(14)17(20)21/h3-9,16H,1-2H3,(H,18,19).
What are the key properties of 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 293.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 662731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).