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Home Carboxys 1-Methyl-3-propyl-1h-pyrazole-5-carboxylic acid

1-Methyl-3-propyl-1h-pyrazole-5-carboxylic acid

CAS No.:
139755-99-0
Catalog Number:
AG001BO2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
10g
95%
In Stock USA
United States
$343
- +
Product Description
Catalog Number:
AG001BO2
Chemical Name:
1-Methyl-3-propyl-1h-pyrazole-5-carboxylic acid
CAS Number:
139755-99-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD02169703
IUPAC Name:
2-methyl-5-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
KOABFSONXOOIIH-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=O)O)CCC
Properties
Complexity:
172  
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:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
A facile and improved synthesis of sildenafil (Viagra) analogs through solid support microwave irradiation possessing tyrosinase inhibitory potential, their conformational analysis and molecular dynamics simulation studies. Molecular diversity 20050101
Properties