Home Nitriles 1H-Pyrazole-5-carbonitrile, 1,3-dimethyl-

1H-Pyrazole-5-carbonitrile, 1,3-dimethyl-

CAS No.:
306936-77-6
Catalog Number:
AG0030XA
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
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Product Description
Catalog Number:
AG0030XA
Chemical Name:
1H-Pyrazole-5-carbonitrile, 1,3-dimethyl-
CAS Number:
306936-77-6
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD00833260
IUPAC Name:
2,5-dimethylpyrazole-3-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-5-3-6(4-7)9(2)8-5/h3H,1-2H3
InChI Key:
FLBLWIMFXGNWRG-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C#N)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties