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

C19H16FN3O2 — CID 56588791

IUPAC4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O2/c1-11-16-17(22-21-11)19(24)23(14-7-9-15(25-2)10-8-14)18(16)12-3-5-13(20)6-4-12/h3-10,18H,1-2H3,(H,21,22)
InChIKeyFSYNEBLUNBTBRM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.62
Rot. Bonds3

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

4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588791) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588791
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O2/c1-11-16-17(22-21-11)19(24)23(14-7-9-15(25-2)10-8-14)18(16)12-3-5-13(20)6-4-12/h3-10,18H,1-2H3,(H,21,22)
InChIKeyFSYNEBLUNBTBRM-UHFFFAOYSA-N
XLogP3.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 56588791) is 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is FSYNEBLUNBTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-11-16-17(22-21-11)19(24)23(14-7-9-15(25-2)10-8-14)18(16)12-3-5-13(20)6-4-12/h3-10,18H,1-2H3,(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 337.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).