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

C20H21N3O2 — CID 6490863

IUPAC4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C(=O)c2n[nH]c(-c3ccco3)c2C1c1ccc(CC)cc1
InChIInChI=1S/C20H21N3O2/c1-3-11-23-19(14-9-7-13(4-2)8-10-14)16-17(15-6-5-12-25-15)21-22-18(16)20(23)24/h5-10,12,19H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyRDHHYKYCIWVZNE-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.19
Rot. Bonds5

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

4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 6490863) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID6490863
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C(=O)c2n[nH]c(-c3ccco3)c2C1c1ccc(CC)cc1
InChIInChI=1S/C20H21N3O2/c1-3-11-23-19(14-9-7-13(4-2)8-10-14)16-17(15-6-5-12-25-15)21-22-18(16)20(23)24/h5-10,12,19H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyRDHHYKYCIWVZNE-UHFFFAOYSA-N
XLogP4.19
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 6490867
methyl 4-[3-(furan-2-yl)-5-(2-methoxyethyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 42651125
4-(4-ethylphenyl)-3-(4-methylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856322
3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42652818
(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 29139185
4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490865
(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 29130675
3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42653418
(4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51718753
(4S)-4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136767437
4-(4-fluorophenyl)-3-(4-methylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856821
4-(4-bromophenyl)-3-(4-methylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856769

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 6490863) is 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CCCN1C(=O)c2n[nH]c(-c3ccco3)c2C1c1ccc(CC)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is RDHHYKYCIWVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-11-23-19(14-9-7-13(4-2)8-10-14)16-17(15-6-5-12-25-15)21-22-18(16)20(23)24/h5-10,12,19H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 335.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 6490863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).