3,5-dimethyl-1-(2-aminophenyl)-1H-Pyrazole-4-carboxylic acid ethyl ester

HCID 9899892

Completing data — usually done within a minute

Basic information

CAS
346440-92-4
Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccccc2N)c1C
InChIKey
UNHOWSNRQFPKSS-UHFFFAOYSA-N
Molecular formula
C14H17N3O2
Average molar mass
259.3 g/mol
Monoisotopic mass
259.13207678

Names & identifiers

Preferred name
3,5-dimethyl-1-(2-aminophenyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
IUPAC
ethyl 1-(2-aminophenyl)-3,5-dimethylpyrazole-4-carboxylate

Names & synonyms

3,5-dimethyl-1-(2-aminophenyl)-1H-Pyrazole-4-carboxylic acid ethyl ester346440-92-4SCHEMBL6070491UNHOWSNRQFPKSS-UHFFFAOYSA-NDTXSID701176902Ethyl 1-(2-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

Database identifiers

CAS
346440-92-4
PubChem CID
9899892
DTXSID
DTXSID701176902

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
70.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

3 records

Compound notes

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