3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H18ClN3O3 — CID 6490806

IUPAC3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O
InChIInChI=1S/C20H18ClN3O3/c1-3-27-15-10-12(6-9-14(15)25)19-16-17(11-4-7-13(21)8-5-11)22-23-18(16)20(26)24(19)2/h4-10,19,25H,3H2,1-2H3,(H,22,23)
InChIKeyYORLIFXFCBWLPI-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.01
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 6490806) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID6490806
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O
InChIInChI=1S/C20H18ClN3O3/c1-3-27-15-10-12(6-9-14(15)25)19-16-17(11-4-7-13(21)8-5-11)22-23-18(16)20(26)24(19)2/h4-10,19,25H,3H2,1-2H3,(H,22,23)
InChIKeyYORLIFXFCBWLPI-UHFFFAOYSA-N
XLogP4.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857652
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51426385
3-(5-chloro-2-hydroxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135669635
4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856580
5-benzyl-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855512
5-cyclopentyl-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856591
5-[(2-chlorophenyl)methyl]-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855510
5-cyclohexyl-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856586
4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858727
3-(5-chloro-2-hydroxyphenyl)-4-(3,4-diethoxyphenyl)-5-(3-hydroxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135669506
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
5-cyclohexyl-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858725

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 6490806) is 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is YORLIFXFCBWLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-3-27-15-10-12(6-9-14(15)25)19-16-17(11-4-7-13(21)8-5-11)22-23-18(16)20(26)24(19)2/h4-10,19,25H,3H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 383.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 6490806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).