Home Nitriles 2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetonitrile

2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetonitrile

CAS No.:
1260659-17-3
Catalog Number:
AG01AHG1
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
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Product Description
Catalog Number:
AG01AHG1
Chemical Name:
2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetonitrile
CAS Number:
1260659-17-3
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD18262432
IUPAC Name:
2-(1-propan-2-ylpyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C8H11N3/c1-7(2)11-6-4-8(10-11)3-5-9/h4,6-7H,3H2,1-2H3
InChI Key:
RZPUZBJXKADSBX-UHFFFAOYSA-N
SMILES:
CC(n1ccc(n1)CC#N)C
Properties
Complexity:
167  
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:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties