A1H9V

~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide

Created:	2024-04-29
Last modified:	2024-05-08

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2 entries where A1H9V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of A1H9V

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Chemical Component Summary
Name	~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide
Synonyms	N,N-dimethyl-1H-pyrazole-4-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide
Formula	C₅ H₉ N₃ O₂ S
Molecular Weight	175.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)[S](=O)(=O)c1c[nH]nc1
SMILES	OpenEye OEToolkits	2.0.7	CN(C)S(=O)(=O)c1c[nH]nc1
Canonical SMILES	CACTVS	3.385	CN(C)[S](=O)(=O)c1c[nH]nc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)S(=O)(=O)c1c[nH]nc1
InChI	InChI	1.06	InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKey	InChI	1.06	HEIPZBCMZXCIPT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	54594730

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.