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3-Amino-1-pentofuranosyl-1h-pyrazole-4-carboxamide

HCID 289019
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Basic information

CAS
39102-58-4
Standard SMILES
NC(=O)c1cn(C2OC(CO)C(O)C2O)nc1N
InChIKey
NYDTYQKZNSHVCA-UHFFFAOYSA-N
Molecular formula
C9H14N4O5
Average molar mass
258.23 g/mol
Monoisotopic mass
258.09641956

Names & identifiers

Preferred name
3-Amino-1-pentofuranosyl-1h-pyrazole-4-carboxamide
IUPAC
3-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-4-carboxamide

Names & synonyms

39102-58-43-amino-1-pentofuranosyl-1h-pyrazole-4-carboxamideNSC150413DTXSID50302349NSC-150413

Database identifiers

CAS
39102-58-4
PubChem CID
289019
DTXSID
DTXSID50302349

Properties

Computed structural properties

XLogP
-2.3
Topological polar surface area
157 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
330

Related reactions

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Compound notes

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