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

C20H27N3O2 — CID 98215544

IUPAC(4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCCCCCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-6-7-8-13-23-19(15-9-11-16(24)12-10-15)17-14(2)21-22-18(17)20(23)25/h9-12,19,24H,3-8,13H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyVCVKHYZTYGCUFI-LJQANCHMSA-N
MW341.46 g/mol
LogP4.33
Rot. Bonds8

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

(4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 98215544) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID98215544
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCCCCCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-6-7-8-13-23-19(15-9-11-16(24)12-10-15)17-14(2)21-22-18(17)20(23)25/h9-12,19,24H,3-8,13H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyVCVKHYZTYGCUFI-LJQANCHMSA-N
XLogP4.33
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 23608258
3-(5-chloro-2-hydroxyphenyl)-4-(4-methylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135669725
3-(2-hydroxy-4,6-dimethylphenyl)-5-pentyl-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135785527
5-butyl-4-(4-fluorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135586088
5-butyl-4-(4-hexoxyphenyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135555207
(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 26433298
4-(4-ethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135785662
4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856580
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856474
(4S)-4-(4-bromophenyl)-5-butyl-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136767507
(4R)-5-butyl-3-(2-hydroxyphenyl)-4-(4-pentoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136767516
4-(4-hexoxyphenyl)-3-(2-hydroxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135555163

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 98215544) is (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CCCCCCCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(O)cc1.
What is the InChIKey of (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is VCVKHYZTYGCUFI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-5-6-7-8-13-23-19(15-9-11-16(24)12-10-15)17-14(2)21-22-18(17)20(23)25/h9-12,19,24H,3-8,13H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 341.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxyphenyl)-3-methyl-5-octyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 98215544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).