SQM

4-benzamido-2-methyl-pyrazole-3-carboxamide

Created:	2020-03-11
Last modified:	2020-07-22

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1 entries where SQM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of SQM

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Chemical Component Summary
Name	4-benzamido-2-methyl-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	4-benzamido-2-methyl-pyrazole-3-carboxamide
Formula	C₁₂ H₁₂ N₄ O₂
Molecular Weight	244.249
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
SMILES	OpenEye OEToolkits	2.0.6	Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N
Canonical SMILES	CACTVS	3.385	Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N
InChI	InChI	1.03	InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKey	InChI	1.03	RHBYLZOCKQVWCX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	677122

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