3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid

HCID 20325964CAS 61620-93-7
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Basic information

Standard SMILES
O=C(O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])o1
InChIKey
UAEGXJCWNKQXFG-UHFFFAOYSA-N
Molecular formula
C14H9N3O5
Average molar mass
299.24 g/mol
Monoisotopic mass
299.05422039

Names & identifiers

Preferred name
3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
IUPAC
3-(5-nitrofuran-2-yl)-1-phenylpyrazole-4-carboxylic acid

Names & synonyms

61620-93-73-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carboxylic acidSCHEMBL11604328DTXSID80605375UAEGXJCWNKQXFG-UHFFFAOYSA-N3-(5-nitro-2-furyl)-1-phenylpyrazole-4-carboxylic acid

Database identifiers

CAS
61620-93-7
PubChem CID
20325964
DTXSID
DTXSID80605375

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

Related reactions

13 records
New reaction record

Linked notes

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