(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C20H18BrN3O3 — CID 41078778

IUPAC(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc([C@@H]2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C20H18BrN3O3/c1-11-17-18(23-22-11)20(25)24(14-7-5-13(21)6-8-14)19(17)12-4-9-15(26-2)16(10-12)27-3/h4-10,19H,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyVFLPTZGXGZLNCF-LJQANCHMSA-N
MW428.29 g/mol
LogP4.25
Rot. Bonds4

About (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 41078778) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID41078778
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc([C@@H]2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C20H18BrN3O3/c1-11-17-18(23-22-11)20(25)24(14-7-5-13(21)6-8-14)19(17)12-4-9-15(26-2)16(10-12)27-3/h4-10,19H,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyVFLPTZGXGZLNCF-LJQANCHMSA-N
XLogP4.25
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 1399579
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 663322
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662815
5-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 73438724
(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 981407
(4S)-4-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 937617
(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 40639511
(4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1409615
(4R)-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 41035010
5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155563628
(4S)-5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51467358
ethyl 4-[(4R)-3-methyl-4-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 51408181

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 41078778) is (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc([C@@H]2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)cc1OC.
What is the InChIKey of (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is VFLPTZGXGZLNCF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-11-17-18(23-22-11)20(25)24(14-7-5-13(21)6-8-14)19(17)12-4-9-15(26-2)16(10-12)27-3/h4-10,19H,1-3H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 428.29 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 41078778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).