Q5L

N-(propan-2-yl)-1H-pyrazole-3-carboxamide

Created:	2022-06-01
Last modified:	2023-12-20

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2 entries where Q5L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	5

2D diagram of Q5L

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Chemical Component Summary
Name	N-(propan-2-yl)-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-propan-2-yl-1~{H}-pyrazole-3-carboxamide
Formula	C₇ H₁₁ N₃ O
Molecular Weight	153.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C)C)c1cc[NH]n1
SMILES	CACTVS	3.385	CC(C)NC(=O)c1cc[nH]n1
SMILES	OpenEye OEToolkits	2.0.7	CC(C)NC(=O)c1cc[nH]n1
Canonical SMILES	CACTVS	3.385	CC(C)NC(=O)c1cc[nH]n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)NC(=O)c1cc[nH]n1
InChI	InChI	1.03	InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11)
InChIKey	InChI	1.03	KIDXTSGRYSIIRY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53017380

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