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

C20H18FN3O2 — CID 56588827

IUPAC5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCc1[nH]nc2c1C(c1ccc(F)cc1)N(Cc1ccccc1)C2=O
InChIInChI=1S/C20H18FN3O2/c1-26-12-16-17-18(23-22-16)20(25)24(11-13-5-3-2-4-6-13)19(17)14-7-9-15(21)10-8-14/h2-10,19H,11-12H2,1H3,(H,22,23)
InChIKeyIPNWMUABFITINB-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.44
Rot. Bonds5

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

5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588827) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588827
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCc1[nH]nc2c1C(c1ccc(F)cc1)N(Cc1ccccc1)C2=O
InChIInChI=1S/C20H18FN3O2/c1-26-12-16-17-18(23-22-16)20(25)24(11-13-5-3-2-4-6-13)19(17)14-7-9-15(21)10-8-14/h2-10,19H,11-12H2,1H3,(H,22,23)
InChIKeyIPNWMUABFITINB-UHFFFAOYSA-N
XLogP3.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 56588827) is 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COCc1[nH]nc2c1C(c1ccc(F)cc1)N(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is IPNWMUABFITINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-12-16-17-18(23-22-16)20(25)24(11-13-5-3-2-4-6-13)19(17)14-7-9-15(21)10-8-14/h2-10,19H,11-12H2,1H3,(H,22,23).
What are the key properties of 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 351.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).