Ethyl 1-[3-cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylate

HCID 19366017
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Basic information

Standard SMILES
CCOC(=O)c1cnn(-c2ccc(OCC(C)CC)c(C#N)c2)c1
InChIKey
SWHNTVRZCHPJEX-UHFFFAOYSA-N
Molecular formula
C18H21N3O3
Average molar mass
327.4 g/mol

Names & identifiers

Preferred name
Ethyl 1-[3-cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylate
IUPAC
ethyl 1-[3-cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylate

Names & synonyms

SCHEMBL7861825

Database identifiers

PubChem CID
19366017

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
77.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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