ZHX

~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide

Created:	2023-06-23
Last modified:	2024-02-21

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1 entries where ZHX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	6

2D diagram of ZHX

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Chemical Component Summary
Name	~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide
Formula	C₁₆ H₂₁ N₃ O₂
Molecular Weight	287.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C
Canonical SMILES	CACTVS	3.385	CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C
InChI	InChI	1.06	InChI=1S/C16H21N3O2/c1-11(2)10-14(20)17-15-12(3)18(4)19(16(15)21)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKey	InChI	1.06	WBRXDBQUBLYLAD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	903616
ChEMBL	CHEMBL1462839

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.