JGY

1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide

Created:	2018-09-10
Last modified:	2018-10-10

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3 entries where JGY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	5

2D diagram of JGY

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Chemical Component Summary
Name	1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	1-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]pyrazole-3-carboxamide
Formula	C₁₀ H₁₅ N₃ O₂
Molecular Weight	209.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C1CCCO1)NC(c2ccn(C)n2)=O
SMILES	CACTVS	3.385	Cn1ccc(n1)C(=O)NC[CH]2CCCO2
SMILES	OpenEye OEToolkits	2.0.6	Cn1ccc(n1)C(=O)NCC2CCCO2
Canonical SMILES	CACTVS	3.385	Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2
InChI	InChI	1.03	InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1
InChIKey	InChI	1.03	WBAZBPMBDLSPCX-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	1224835

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