methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate

C20H19N3O4 — CID 6490867

IUPACmethyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
SMILESCCCN1C(=O)c2n[nH]c(-c3ccco3)c2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H19N3O4/c1-3-10-23-18(12-6-8-13(9-7-12)20(25)26-2)15-16(14-5-4-11-27-14)21-22-17(15)19(23)24/h4-9,11,18H,3,10H2,1-2H3,(H,21,22)
InChIKeyFCEUAHNMSFRDNA-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.41
Rot. Bonds5

About methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate

methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate (PubChem CID 6490867) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
PubChem CID6490867
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
SMILESCCCN1C(=O)c2n[nH]c(-c3ccco3)c2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H19N3O4/c1-3-10-23-18(12-6-8-13(9-7-12)20(25)26-2)15-16(14-5-4-11-27-14)21-22-17(15)19(23)24/h4-9,11,18H,3,10H2,1-2H3,(H,21,22)
InChIKeyFCEUAHNMSFRDNA-UHFFFAOYSA-N
XLogP3.41
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate with MolForge

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Related Compounds

4-(2-Furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662731
ethyl 4-[4-(furan-2-yl)-3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
CID 663175
ethyl 4-(3-(2-furyl)-4-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 16020144
ethyl 4-(3-(2-furyl)-4-(4-hydroxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 16020170
5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 665962
4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 666973
5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4886313
5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4887555
5-(furan-2-ylmethyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4891692
4-[3-(2-Furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester
CID 12005176
ethyl 4-(3-(2-furyl)-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 16020165
ethyl 4-(4-(3-ethoxy-4-hydroxyphenyl)-3-(2-furyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 16020167

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
The IUPAC name of methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate (CID 6490867) is methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate is CCCN1C(=O)c2n[nH]c(-c3ccco3)c2C1c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
The InChIKey is FCEUAHNMSFRDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-10-23-18(12-6-8-13(9-7-12)20(25)26-2)15-16(14-5-4-11-27-14)21-22-17(15)19(23)24/h4-9,11,18H,3,10H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate is sourced from PubChem (CID 6490867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).