7-[3-(2-Methoxyphenyl)pyrazol-1-yl]heptanoic acid ethyl ester

HCID 68488990

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)CCCCCCn1ccc(-c2ccccc2OC)n1
InChIKey: UDSVMBAXVGQNPE-UHFFFAOYSA-N
Molecular formula: C19H26N2O3
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.1943427

Names & identifiers

Preferred name: 7-[3-(2-Methoxyphenyl)pyrazol-1-yl]heptanoic acid ethyl ester
IUPAC: ethyl 7-[3-(2-methoxyphenyl)pyrazol-1-yl]heptanoate

Names & synonyms

SCHEMBL3039018UDSVMBAXVGQNPE-UHFFFAOYSA-N7-[3-(2-Methoxyphenyl)pyrazol-1-yl]heptanoic acid ethyl ester

Database identifiers

PubChem CID: 68488990

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 365

Related reactions

8 records

New reaction record

HRID 686737As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1039179As productuspto-grants-2013_10

HRID 1039180As reactantuspto-grants-2013_10

HRID 1124325As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1443677As productuspto-grants-2010_02

HRID 1443678As reactantuspto-grants-2010_02

HRID 1616565As productuspto-grants-2014_07

HRID 1616566As reactantuspto-grants-2014_07

Compound notes

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