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2-(4-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)ethanol

HCID 59290476
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1cc(-c2cc(CCO)ccc2F)cn1
InChIKey
RSMMMPXCHRZEEY-UHFFFAOYSA-N
Molecular formula
C12H13FN2O
Average molar mass
220.24 g/mol

Names & identifiers

Preferred name
2-(4-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)ethanol
IUPAC
2-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanol

Names & synonyms

2-(4-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)ethanolSCHEMBL1559444RSMMMPXCHRZEEY-UHFFFAOYSA-N

Database identifiers

PubChem CID
59290476

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
227

Related reactions

4 records
New reaction record
HRID 97191 reaction equation
HRID 97191As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 678122 reaction equation
HRID 678122As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 909917 reaction equation
HRID 909917As productuspto-grants-2011_09
HRID 909918 reaction equation
HRID 909918As reactantuspto-grants-2011_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes