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

C19H16FN3O — CID 3696568

IUPAC4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2F)cc1
InChIInChI=1S/C19H16FN3O/c1-11-7-9-13(10-8-11)23-18(14-5-3-4-6-15(14)20)16-12(2)21-22-17(16)19(23)24/h3-10,18H,1-2H3,(H,21,22)
InChIKeyYWGHYJLNWLMXBC-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.92
Rot. Bonds2

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

4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 3696568) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID3696568
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2F)cc1
InChIInChI=1S/C19H16FN3O/c1-11-7-9-13(10-8-11)23-18(14-5-3-4-6-15(14)20)16-12(2)21-22-17(16)19(23)24/h3-10,18H,1-2H3,(H,21,22)
InChIKeyYWGHYJLNWLMXBC-UHFFFAOYSA-N
XLogP3.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 3696568) is 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is YWGHYJLNWLMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-11-7-9-13(10-8-11)23-18(14-5-3-4-6-15(14)20)16-12(2)21-22-17(16)19(23)24/h3-10,18H,1-2H3,(H,21,22).
What are the key properties of 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 321.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 3696568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).