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Home Carboxys Ethyl 3,5-dimethyl-1h-4-pyrazolecarboxylate

Ethyl 3,5-dimethyl-1h-4-pyrazolecarboxylate

CAS No.:
35691-93-1
Catalog Number:
AG003Q6T
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$144
- +
10g
98%
In Stock USA
United States
$232
- +
25g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003Q6T
Chemical Name:
Ethyl 3,5-dimethyl-1h-4-pyrazolecarboxylate
CAS Number:
35691-93-1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00159638
IUPAC Name:
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
InChI Key:
BCKARVLFIJPHQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n[nH]c1C
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:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design. Nature biotechnology 20050201
Properties