N8L

1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

Created:	2022-08-12
Last modified:	2024-09-27

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1 entries where N8L is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	11

2D diagram of N8L

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Chemical Component Summary
Name	1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
Systematic Name (OpenEye OEToolkits)	1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
Formula	C₁₆ H₂₀ N₄ O
Molecular Weight	284.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCCC1c2c([nH]nc2c3ccncc3)C
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCC[C@H]1c2c(C)[nH]nc2c3ccncc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCC[C@H]1c2c([nH]nc2c3ccncc3)C
InChI	InChI	1.06	InChI=1S/C16H20N4O/c1-3-14(21)20-10-4-5-13(20)15-11(2)18-19-16(15)12-6-8-17-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKey	InChI	1.06	RISJZZLPUZQNDI-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	165111568

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