1-Nicotinoyl-3-phenyl-2-pyrazoline methanesulfonate

HCID 9819656
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Basic information

Standard SMILES
CS(=O)(=O)O.O=C(c1cccnc1)N1CCC(c2ccccc2)=N1
InChIKey
RURTXSPIKPQHQX-UHFFFAOYSA-N
Molecular formula
C16H17N3O4S
Average molar mass
347.4 g/mol
Monoisotopic mass
347.09397721

Names & identifiers

Preferred name
1-Nicotinoyl-3-phenyl-2-pyrazoline methanesulfonate
IUPAC
methanesulfonic acid;(5-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone

Names & synonyms

SCHEMBL6773971RURTXSPIKPQHQX-UHFFFAOYSA-N1-nicotinoyl-3-phenyl-2-pyrazoline methanesulfonate

Database identifiers

PubChem CID
9819656

Properties

Computed structural properties

Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
24

Related reactions

1 records
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Compound notes

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