K3A

N-(5-methyl-1H-pyrazol-3-yl)acetamide

Created:	2018-10-25
Last modified:	2018-12-19

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3 entries where K3A 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 K3A

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Chemical Component Summary
Name	N-(5-methyl-1H-pyrazol-3-yl)acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-(5-methyl-1~{H}-pyrazol-3-yl)ethanamide
Formula	C₆ H₉ N₃ O
Molecular Weight	139.155
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nc(NC(C)=O)cc1C
SMILES	CACTVS	3.385	CC(=O)Nc1cc(C)[nH]n1
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(n[nH]1)NC(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1cc(C)[nH]n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(n[nH]1)NC(=O)C
InChI	InChI	1.03	InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKey	InChI	1.03	LUFRABHJXNJTNZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5246311
CCDC/CSD	ARAGUV

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