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

C14H15N3O3 — CID 40639511

IUPAC(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cc([C@@H]2c3c(n[nH]c3C)C(=O)N2C)ccc1O
InChIInChI=1S/C14H15N3O3/c1-7-11-12(16-15-7)14(19)17(2)13(11)8-4-5-9(18)10(6-8)20-3/h4-6,13,18H,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyHKRDYBKOUYNHGY-CYBMUJFWSA-N
MW273.29 g/mol
LogP1.61
Rot. Bonds2

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

(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 40639511) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID40639511
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cc([C@@H]2c3c(n[nH]c3C)C(=O)N2C)ccc1O
InChIInChI=1S/C14H15N3O3/c1-7-11-12(16-15-7)14(19)17(2)13(11)8-4-5-9(18)10(6-8)20-3/h4-6,13,18H,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyHKRDYBKOUYNHGY-CYBMUJFWSA-N
XLogP1.61
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51426385
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-(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-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490775
(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-(2-hydroxy-5-methylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136903095
3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methyl-2H-pyrrol-5-one
CID 3407905
3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 6490806
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-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 3456601
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 4689309

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 40639511) is (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1cc([C@@H]2c3c(n[nH]c3C)C(=O)N2C)ccc1O.
What is the InChIKey of (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is HKRDYBKOUYNHGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-11-12(16-15-7)14(19)17(2)13(11)8-4-5-9(18)10(6-8)20-3/h4-6,13,18H,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 273.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 40639511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).