(4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C23H16N4O3 — CID 40506782

IUPAC(4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-23-21-19(20(24-25-21)15-11-13-18(14-12-15)27(29)30)22(16-7-3-1-4-8-16)26(23)17-9-5-2-6-10-17/h1-14,22H,(H,24,25)/t22-/m0/s1
InChIKeyIZAIDELMEMUXIA-QFIPXVFZSA-N
MW396.41 g/mol
LogP4.73
Rot. Bonds4

About (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 40506782) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID40506782
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name(4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-23-21-19(20(24-25-21)15-11-13-18(14-12-15)27(29)30)22(16-7-3-1-4-8-16)26(23)17-9-5-2-6-10-17/h1-14,22H,(H,24,25)/t22-/m0/s1
InChIKeyIZAIDELMEMUXIA-QFIPXVFZSA-N
XLogP4.73
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)-3-(4-nitrophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 56694185
(4S)-5-(4-chlorophenyl)-3-(4-methylphenyl)-4-(4-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 92660924
(4R)-4-(2-nitrophenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1122790
(4R)-3-(4-chlorophenyl)-4-(2-nitrophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1372910
5-cyclopentyl-4-(4-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855167
4-(4-chlorophenyl)-5-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 4639162
(4R)-4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 40994923
(4S)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 7464452
4-[(4R)-4-(3-hydroxyphenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoate
CID 11922633
(4R)-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 41035010
(4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1409615
ethyl 4-[(4R)-3-(4-methoxyphenyl)-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoate
CID 92660939

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 40506782) is (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is IZAIDELMEMUXIA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-23-21-19(20(24-25-21)15-11-13-18(14-12-15)27(29)30)22(16-7-3-1-4-8-16)26(23)17-9-5-2-6-10-17/h1-14,22H,(H,24,25)/t22-/m0/s1.
What are the key properties of (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 396.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-nitrophenyl)-4,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 40506782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).