Home Halogens Ethyl 1-Benzyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Ethyl 1-Benzyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

CAS No.:
948293-14-9
Catalog Number:
AG01DO9H
Molecular Formula:
C19H17BrN2O2
Molecular Weight:
385.2545
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$131
- +
1g
95%
1 week
United States
$316
- +
Product Description
Catalog Number:
AG01DO9H
Chemical Name:
Ethyl 1-Benzyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CAS Number:
948293-14-9
Molecular Formula:
C19H17BrN2O2
Molecular Weight:
385.2545
MDL Number:
MFCD08446030
IUPAC Name:
ethyl 2-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C19H17BrN2O2/c1-2-24-19(23)18-12-17(15-8-10-16(20)11-9-15)21-22(18)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChI Key:
BPPNSALLNZWKDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1Cc1ccccc1)c1ccc(cc1)Br
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.047g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.261g/mol
Monoisotopic Mass:
384.047g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Ethyl 1-benzyl-3-(4-bromo-phen-yl)-1H-pyrazole-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110801
Properties