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Compound
1-(1-Phenyl-1H-pyrazol-3-yl)-propan-1-ol
HCID
59366174
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CCC(O)c1ccn(-c2ccccc2)n1
InChIKey
IIOCFYGVYNIWKI-UHFFFAOYSA-N
Molecular formula
C12H14N2O
Average molar mass
202.25 g/mol
Names & identifiers
Preferred name
1-(1-Phenyl-1H-pyrazol-3-yl)-propan-1-ol
IUPAC
1-(1-phenylpyrazol-3-yl)propan-1-ol
Names & synonyms
SCHEMBL1063156
IIOCFYGVYNIWKI-UHFFFAOYSA-N
1-(1-Phenyl-1H-pyrazol-3-yl)-propan-1-ol
Database identifiers
PubChem CID
59366174
Properties
Computed structural properties
XLogP
2
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
192
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Related reactions
6 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
141264
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
532820
As product
uspto-grants-2014_10
HRID
532821
As reactant
uspto-grants-2014_10
HRID
1566935
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2063546
As product
uspto-grants-2012_10
HRID
2063547
As reactant
uspto-grants-2012_10
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Compound notes
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