Home Carboxys Ethyl 3-phenylpyrazole-5-carboxylate

Ethyl 3-phenylpyrazole-5-carboxylate

CAS No.:
5932-30-9
Catalog Number:
AG00EC9W
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$132
- +
25g
97%
In Stock USA
United States
$263
- +
100g
97%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00EC9W
Chemical Name:
Ethyl 3-phenylpyrazole-5-carboxylate
CAS Number:
5932-30-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD02130942
IUPAC Name:
ethyl 3-phenyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChI Key:
AZZHJDRWBMQEKD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1)c1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis of 5-benzyl-2-phenylpyrazolo[1,5-a]pyrazin-4,6(5H,7H)-dione derivatives and discovery of an apoptosis inducer for H322 lung cancer cells. Bioorganic & medicinal chemistry letters 20120115
Synthesis of novel oxime-containing pyrazole derivatives and discovery of regulators for apoptosis and autophagy in A549 lung cancer cells. Bioorganic & medicinal chemistry letters 20100815
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties