GOJ

ethyl 1~{H}-pyrazole-4-carboxylate

Created:	2018-05-31
Last modified:	2018-12-19

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5 entries where GOJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	5

2D diagram of GOJ

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Chemical Component Summary
Name	ethyl 1~{H}-pyrazole-4-carboxylate
Systematic Name (OpenEye OEToolkits)	ethyl 1~{H}-pyrazole-4-carboxylate
Formula	C₆ H₈ N₂ O₂
Molecular Weight	140.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)c1c[nH]nc1
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)c1c[nH]nc1
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1c[nH]nc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)c1c[nH]nc1
InChI	InChI	1.03	InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKey	InChI	1.03	KACZQOKEFKFNDB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	142179
CCDC/CSD	VOQJET

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.