200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 36140-83-7
36140-83-7 | 1-Cyanoacetyl-3,5-Dimethylpyrazole
CAS No: 36140-83-7 Catalog No: AG0032R0 MDL No:MFCD00051954
Product Description
Catalog Number:
AG0032R0
Chemical Name:
1-Cyanoacetyl-3,5-Dimethylpyrazole
CAS Number:
36140-83-7
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD00051954
IUPAC Name:
3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H9N3O/c1-6-5-7(2)11(10-6)8(12)3-4-9/h5H,3H2,1-2H3
InChI Key:
DDWZYWSLHBDVGR-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1C(=O)CC#N)C
NSC Number:
95424
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antioxidant evaluation of some new pyrazolopyridine derivatives. | Archiv der Pharmazie 20120201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.