54Y

5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide

Created:	2015-07-25
Last modified:	2015-09-09

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2 entries where 54Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

2D diagram of 54Y

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Chemical Component Summary
Name	5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	5-chloranyl-N,1-dimethyl-pyrazole-4-carboxamide
Formula	C₆ H₈ Cl N₃ O
Molecular Weight	173.6
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1n(C)c(c(C(=O)NC)c1)Cl
SMILES	CACTVS	3.385	CNC(=O)c1cnn(C)c1Cl
SMILES	OpenEye OEToolkits	1.9.2	CNC(=O)c1cnn(c1Cl)C
Canonical SMILES	CACTVS	3.385	CNC(=O)c1cnn(C)c1Cl
Canonical SMILES	OpenEye OEToolkits	1.9.2	CNC(=O)c1cnn(c1Cl)C
InChI	InChI	1.03	InChI=1S/C6H8ClN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11)
InChIKey	InChI	1.03	GWOXCPZAAJXFDL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	24229808

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