Home Carboxys 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
119083-00-0
Catalog Number:
AG000I5E
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$388
- +
5g
95%
In Stock USA
United States
$519
- +
Product Description
Catalog Number:
AG000I5E
Chemical Name:
1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
119083-00-0
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD04110182
IUPAC Name:
1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)3(2-10-11)5(12)13/h2H,1H3,(H,12,13)
InChI Key:
VAKOSNKAXYJZRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C(F)(F)F)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties