3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

HCID 656964
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Basic information

CAS
89193-18-0
Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIKey
BUIZDUYEIRRDAV-UHFFFAOYSA-N
Molecular formula
C14H16N2O2
Average molar mass
244.29 g/mol
Monoisotopic mass
244.12117775

Names & identifiers

Preferred name
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC
ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

Names & synonyms

3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER89193-18-0DTXSID90349672RefChem:486946DTXCID303007424-(ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-iumethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, ethyl esterETHYL 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATEMFCD002334611y2cPyrazole carboxylic ester 8
Show more names
3DESCHEMBL6069548CHEMBL1794670BDBM14785BUIZDUYEIRRDAV-UHFFFAOYSA-NSBB077903AKOS000320108AB05031

Database identifiers

CAS
89193-18-0
PubChem CID
656964
DTXSID
DTXSID90349672
ChEMBL
CHEMBL1794670
Nikkaji
J2.142.339D

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Related reactions

2 records
New reaction record

Compound notes

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