Home Nitriles 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbonitrile

1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbonitrile

CAS No.:
138134-19-7
Catalog Number:
AG01ALOE
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
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Product Description
Catalog Number:
AG01ALOE
Chemical Name:
1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CAS Number:
138134-19-7
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD28954429
IUPAC Name:
1-methyl-3-propan-2-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H11N3/c1-6(2)8-7(4-9)5-11(3)10-8/h5-6H,1-3H3
InChI Key:
YOVWLJBMAXJDKH-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1C(C)C)C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties