Home Carboxys 3-Isopropyl-1-methyl-1h-pyrazole-5-carboxylic acid

3-Isopropyl-1-methyl-1h-pyrazole-5-carboxylic acid

CAS No.:
78208-73-8
Catalog Number:
AG005D0G
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$216
- +
25g
97%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG005D0G
Chemical Name:
3-Isopropyl-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
78208-73-8
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD07186363
IUPAC Name:
2-methyl-5-propan-2-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-5(2)6-4-7(8(11)12)10(3)9-6/h4-5H,1-3H3,(H,11,12)
InChI Key:
FJPHBZNCWOYBDN-UHFFFAOYSA-N
SMILES:
CC(c1nn(c(c1)C(=O)O)C)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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