(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H21N3O4 — CID 51975067

IUPAC(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-18-11-10-16(13-19(18)30-2)23-20-21(15-7-4-3-5-8-15)25-26-22(20)24(28)27(23)14-17-9-6-12-31-17/h3-13,23H,14H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyGISTYIWMIUHGDE-QHCPKHFHSA-N
MW415.45 g/mol
LogP4.43
Rot. Bonds6

About (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 51975067) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID51975067
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-18-11-10-16(13-19(18)30-2)23-20-21(15-7-4-3-5-8-15)25-26-22(20)24(28)27(23)14-17-9-6-12-31-17/h3-13,23H,14H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyGISTYIWMIUHGDE-QHCPKHFHSA-N
XLogP4.43
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-4-(3,4-dimethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855380
5-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858325
5-(furan-2-ylmethyl)-3,4-bis(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858505
(4S)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136810810
3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857422
4-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855367
4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856707
5-(furan-2-ylmethyl)-4-(3-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855177
4-(4-butoxy-3-methoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxy-5-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135555318
5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857135
5-(furan-2-ylmethyl)-4-(4-hexoxy-3-methoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135786342
5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 4894939

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 51975067) is (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GISTYIWMIUHGDE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-18-11-10-16(13-19(18)30-2)23-20-21(15-7-4-3-5-8-15)25-26-22(20)24(28)27(23)14-17-9-6-12-31-17/h3-13,23H,14H2,1-2H3,(H,25,26)/t23-/m0/s1.
What are the key properties of (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 415.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 51975067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).