(4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one

C23H18ClN3O — CID 11921188

IUPAC(4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C1[C@H](/C=N/Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H18ClN3O/c24-19-13-11-17(12-14-19)15-25-16-21-22(18-7-3-1-4-8-18)26-27(23(21)28)20-9-5-2-6-10-20/h1-14,16,21H,15H2/b25-16+/t21-/m1/s1
InChIKeyVWLATUQMBMXTBA-NSRYLYFRSA-N
MW387.87 g/mol
LogP4.98
Rot. Bonds5

About (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one

(4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 11921188) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name(4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID11921188
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name(4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C1[C@H](/C=N/Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H18ClN3O/c24-19-13-11-17(12-14-19)15-25-16-21-22(18-7-3-1-4-8-18)26-27(23(21)28)20-9-5-2-6-10-20/h1-14,16,21H,15H2/b25-16+/t21-/m1/s1
InChIKeyVWLATUQMBMXTBA-NSRYLYFRSA-N
XLogP4.98
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyliminomethyl]-5-phenyl-4H-pyrazol-3-one
CID 46499777
(4R)-4-[(4-chlorophenyl)-[(4S)-5-oxo-1,3-diphenyl-4H-pyrazol-4-yl]methyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 98155297
5-[(4-chlorophenyl)methyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7595937
2-[(4-chlorophenyl)methyliminomethyl]-5-phenylcyclohexane-1,3-dione
CID 7456629
(4S)-4-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one
CID 11946912
3,5,7-triphenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
CID 12658911
(4aR,8aS)-2,4-diphenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 101497153
4-benzyl-5-(4-methylphenyl)-2-phenyl-4H-pyrazol-3-one
CID 164623482
3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethylazanium
CID 7358638
2-(1,3-benzothiazol-2-yl)-4-(heptyliminomethyl)-5-phenyl-4H-pyrazol-3-one
CID 9498532
(4S)-4-[(1R)-1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 23244348
(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one
CID 98168438

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one (CID 11921188) is (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one is O=C1[C@H](/C=N/Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is VWLATUQMBMXTBA-NSRYLYFRSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-19-13-11-17(12-14-19)15-25-16-21-22(18-7-3-1-4-8-18)26-27(23(21)28)20-9-5-2-6-10-20/h1-14,16,21H,15H2/b25-16+/t21-/m1/s1.
What are the key properties of (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one?
(4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 387.87 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-chlorophenyl)methyliminomethyl]-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 11921188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).