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Home Carboxys 3-Propyl-1H-pyrazole-5-carboxylic acid

3-Propyl-1H-pyrazole-5-carboxylic acid

CAS No.:
76424-47-0
Catalog Number:
AG005XWX
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$125
- +
25g
96%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG005XWX
Chemical Name:
3-Propyl-1H-pyrazole-5-carboxylic acid
CAS Number:
76424-47-0
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD02169458
IUPAC Name:
5-propyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(10)11)9-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChI Key:
QYPSYPPSHXDFLV-UHFFFAOYSA-N
SMILES:
CCCc1cc([nH]n1)C(=O)O
Properties
Complexity:
149  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^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
Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20071015
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Pyrazole derivatives as partial agonists for the nicotinic acid receptor. Journal of medicinal chemistry 20030828
Properties