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

C24H27N3O3 — CID 43859032

IUPAC3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCOc1cccc(C2c3c(-c4ccc(OC)cc4)n[nH]c3C(=O)N2C(C)C)c1
InChIInChI=1S/C24H27N3O3/c1-5-13-30-19-8-6-7-17(14-19)23-20-21(16-9-11-18(29-4)12-10-16)25-26-22(20)24(28)27(23)15(2)3/h6-12,14-15,23H,5,13H2,1-4H3,(H,25,26)
InChIKeyRUILDVXNTIEUOH-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.83
Rot. Bonds7

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

3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43859032) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43859032
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCOc1cccc(C2c3c(-c4ccc(OC)cc4)n[nH]c3C(=O)N2C(C)C)c1
InChIInChI=1S/C24H27N3O3/c1-5-13-30-19-8-6-7-17(14-19)23-20-21(16-9-11-18(29-4)12-10-16)25-26-22(20)24(28)27(23)15(2)3/h6-12,14-15,23H,5,13H2,1-4H3,(H,25,26)
InChIKeyRUILDVXNTIEUOH-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

5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859052
3-(4-methoxyphenyl)-4-(3-propoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859028
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858899
5-butyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858691
4-(3-butoxyphenyl)-3-(4-methylphenyl)-5-(2-methylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856945
3-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857972
5-cyclohexyl-3-(4-methylphenyl)-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856903
3,4-diphenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855100
3-(4-chlorophenyl)-4-(3-ethoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857623
(4S)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136767441
5-benzyl-4-(3-butoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855882
3-(5-chloro-2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135670111

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43859032) is 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCCOc1cccc(C2c3c(-c4ccc(OC)cc4)n[nH]c3C(=O)N2C(C)C)c1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is RUILDVXNTIEUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-13-30-19-8-6-7-17(14-19)23-20-21(16-9-11-18(29-4)12-10-16)25-26-22(20)24(28)27(23)15(2)3/h6-12,14-15,23H,5,13H2,1-4H3,(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-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 3-(4-methoxyphenyl)-5-propan-2-yl-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43859032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).