sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 5-[(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]-2-furoic acid

5-[(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]-2-furoic acid

CAS No.:
1030605-63-0
Catalog Number:
AG00H9Y8
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00H9Y8
Chemical Name:
5-[(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]-2-furoic acid
CAS Number:
1030605-63-0
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD06589836
IUPAC Name:
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-6-9(7(2)13-12-6)5-8-3-4-10(16-8)11(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
NPBZTOKSEXKKAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)Cc1c(C)n[nH]c1C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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