alpha-(1-Methylpyrazol-5-yl)-2,3-dichloro-4,5-dimethoxybenzylalcohol

HCID 14748635
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Basic information

Standard SMILES
COc1cc(C(O)c2ccnn2C)c(Cl)c(Cl)c1OC
InChIKey
QCBKRAIDNVVWBV-UHFFFAOYSA-N
Molecular formula
C13H14Cl2N2O3
Average molar mass
317.16 g/mol

Names & identifiers

Preferred name
alpha-(1-Methylpyrazol-5-yl)-2,3-dichloro-4,5-dimethoxybenzylalcohol
IUPAC
(2,3-dichloro-4,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol

Names & synonyms

SCHEMBL10400502QCBKRAIDNVVWBV-UHFFFAOYSA-Nalpha-(1-methylpyrazol-5-yl)-2,3-dichloro-4,5dimethoxybenzylalcoholalpha-(1-methylpyrazol-5-yl)-2,3-dichloro-4,5-dimethoxybenzylalcohol

Database identifiers

PubChem CID
14748635

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
56.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Related reactions

8 records
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Compound notes

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