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

C20H19N3O3 — CID 662815

IUPAC4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O
InChIInChI=1S/C20H19N3O3/c1-11-4-7-14(8-5-11)23-19(13-6-9-15(24)16(10-13)26-3)17-12(2)21-22-18(17)20(23)25/h4-10,19,24H,1-3H3,(H,21,22)
InChIKeySHQWWHOEJCQTNR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.49
Rot. Bonds3

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

4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 662815) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID662815
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O
InChIInChI=1S/C20H19N3O3/c1-11-4-7-14(8-5-11)23-19(13-6-9-15(24)16(10-13)26-3)17-12(2)21-22-18(17)20(23)25/h4-10,19,24H,1-3H3,(H,21,22)
InChIKeySHQWWHOEJCQTNR-UHFFFAOYSA-N
XLogP3.49
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
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
(4R)-4-(4-hydroxy-3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 40639511
5-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 73438724
(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 41078778
4-[4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid
CID 19587795
(4S)-4-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 937617
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
ethyl 4-[(4R)-3-methyl-4-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 51408181
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51426385

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 662815) is 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is SHQWWHOEJCQTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-11-4-7-14(8-5-11)23-19(13-6-9-15(24)16(10-13)26-3)17-12(2)21-22-18(17)20(23)25/h4-10,19,24H,1-3H3,(H,21,22).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 349.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 662815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).