A1BFZ

N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide

Created:	2024-11-04
Last modified:	2024-11-27

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1 entries where A1BFZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	5

2D diagram of A1BFZ

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Chemical Component Summary
Name	N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{R})-1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
Formula	C₈ H₁₅ N₃ O₂ S
Molecular Weight	217.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cn1ncc(C(C)NS(C)(=O)=O)c1C
SMILES	CACTVS	3.385	C[CH](N[S](C)(=O)=O)c1cnn(C)c1C
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(cnn1C)C(C)NS(=O)(=O)C
Canonical SMILES	CACTVS	3.385	C[C@@H](N[S](C)(=O)=O)c1cnn(C)c1C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(cnn1C)[C@@H](C)NS(=O)(=O)C
InChI	InChI	1.06	InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3
InChIKey	InChI	1.06	DPWJNSPPALAEBZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	92463583

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.