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

C19H16BrN3O3 — CID 1399579

IUPAC(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cc([C@@H]2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C19H16BrN3O3/c1-10-16-17(22-21-10)19(25)23(13-6-4-12(20)5-7-13)18(16)11-3-8-14(24)15(9-11)26-2/h3-9,18,24H,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyUOECAPWPCCDDCK-GOSISDBHSA-N
MW414.26 g/mol
LogP3.94
Rot. Bonds3

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

(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 1399579) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID1399579
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cc([C@@H]2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C19H16BrN3O3/c1-10-16-17(22-21-10)19(25)23(13-6-4-12(20)5-7-13)18(16)11-3-8-14(24)15(9-11)26-2/h3-9,18,24H,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyUOECAPWPCCDDCK-GOSISDBHSA-N
XLogP3.94
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 41078778
(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 40639511
4-[4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid
CID 19587795
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
5-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 3456601
(4R)-5-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 29132048
(4S)-5-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 29132047
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51426385
(4S)-4-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 937617

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 1399579) is (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1cc([C@@H]2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O.
What is the InChIKey of (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is UOECAPWPCCDDCK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-10-16-17(22-21-10)19(25)23(13-6-4-12(20)5-7-13)18(16)11-3-8-14(24)15(9-11)26-2/h3-9,18,24H,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 414.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 1399579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).