Home Carboxys 1-Isopropyl-1H-pyrazole-4-carboxylic acid

1-Isopropyl-1H-pyrazole-4-carboxylic acid

CAS No.:
436096-96-7
Catalog Number:
AG00D8DA
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$213
- +
10g
95%
In Stock USA
United States
$375
- +
25g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00D8DA
Chemical Name:
1-Isopropyl-1H-pyrazole-4-carboxylic acid
CAS Number:
436096-96-7
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD03701700
IUPAC Name:
1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
VGEBYDKBJHWBGS-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)C(=O)O)C
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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