1-beta-D-Ribofuranosyl-4-iodopyrazole-3-carboxamide

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Basic information

CAS: 138787-01-6
Standard SMILES: NC(=O)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
InChIKey: QONCHRHGFNMWIN-FJGDRVTGSA-N
Molecular formula: C9H12IN3O5
Average molar mass: 369.11 g/mol
Monoisotopic mass: 368.98217

Names & identifiers

Preferred name: 1-beta-D-Ribofuranosyl-4-iodopyrazole-3-carboxamide
IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodopyrazole-3-carboxamide

Names & synonyms

1-beta-D-Ribofuranosyl-4-iodopyrazole-3-carboxamide138787-01-6CHEMBL399950DTXSID701607861-.beta.-D-Ribofuranosyl-4-iodopyrazole-3-carboxamide4-Iodo-1-beta-D-ribofuranosyl-1H-pyrazole-3-carboxamide1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-iodo-pyrazole-3-carboxamide

Database identifiers

CAS: 138787-01-6
PubChem CID: 453764
DTXSID: DTXSID70160786
ChEMBL: CHEMBL399950
Nikkaji: J464.292I

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 131 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 333

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Compound notes

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