4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H27N3O3 — CID 43855753

IUPAC4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCOc1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2C(C)C)cc1OCC
InChIInChI=1S/C24H27N3O3/c1-5-29-18-13-12-17(14-19(18)30-6-2)23-20-21(16-10-8-7-9-11-16)25-26-22(20)24(28)27(23)15(3)4/h7-15,23H,5-6H2,1-4H3,(H,25,26)
InChIKeyDWRZCTDUCRZVGI-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.83
Rot. Bonds7

About 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43855753) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43855753
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCOc1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2C(C)C)cc1OCC
InChIInChI=1S/C24H27N3O3/c1-5-29-18-13-12-17(14-19(18)30-6-2)23-20-21(16-10-8-7-9-11-16)25-26-22(20)24(28)27(23)15(3)4/h7-15,23H,5-6H2,1-4H3,(H,25,26)
InChIKeyDWRZCTDUCRZVGI-UHFFFAOYSA-N
XLogP4.83
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diphenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855100
3-phenyl-4-(4-phenylmethoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856076
5-cyclopentyl-4-(4-ethoxy-3-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855454
4-(4-butoxy-3-ethoxyphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855939
5-benzyl-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855512
(4S)-4-(3,4-diethoxyphenyl)-3-(2-hydroxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136902954
3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857767
3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859032
4-(3,4-diethoxyphenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135555229
5-[(2-chlorophenyl)methyl]-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855510
3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857529
4-(3-ethoxy-4-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855494

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43855753) is 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCOc1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2C(C)C)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is DWRZCTDUCRZVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-29-18-13-12-17(14-19(18)30-6-2)23-20-21(16-10-8-7-9-11-16)25-26-22(20)24(28)27(23)15(3)4/h7-15,23H,5-6H2,1-4H3,(H,25,26).
What are the key properties of 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 405.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43855753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).