SNJ

2,5-diphenyl-4~{H}-pyrazol-3-one

Created:	2020-03-11
Last modified:	2020-07-22

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1 entries where SNJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of SNJ

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Chemical Component Summary
Name	2,5-diphenyl-4~{H}-pyrazol-3-one
Systematic Name (OpenEye OEToolkits)	2,5-diphenyl-4~{H}-pyrazol-3-one
Formula	C₁₅ H₁₂ N₂ O
Molecular Weight	236.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1CC(=NN1c2ccccc2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3
Canonical SMILES	CACTVS	3.385	O=C1CC(=NN1c2ccccc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3
InChI	InChI	1.03	InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey	InChI	1.03	MZKALFCNIJHTJG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	78559
ChEMBL	CHEMBL223155
CCDC/CSD	YAWNAN
COD	2234246

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.