Methyl 1-benzyl-3-methyl-1H-pyrazole-5-carboxylate

HCID 10263243
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Basic information

Standard SMILES
COC(=O)c1cc(C)nn1Cc1ccccc1
InChIKey
DWXQJYITVKBPAK-UHFFFAOYSA-N
Molecular formula
C13H14N2O2
Average molar mass
230.26 g/mol

Names & identifiers

Preferred name
Methyl 1-benzyl-3-methyl-1H-pyrazole-5-carboxylate
IUPAC
methyl 2-benzyl-5-methylpyrazole-3-carboxylate

Names & synonyms

Methyl 1-benzyl-3-methyl-1H-pyrazole-5-carboxylate145324-80-7METHYL 2-BENZYL-5-METHYLPYRAZOLE-3-CARBOXYLATESCHEMBL8430653DWXQJYITVKBPAK-UHFFFAOYSA-N2-Benzyl-5-methyl-2H-pyrazole-3-carboxylic acid methyl ester

Database identifiers

PubChem CID
10263243

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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