Home Nitriles 5-(tert-butyl)-1H-pyrazole-3-carbonitrile

5-(tert-butyl)-1H-pyrazole-3-carbonitrile

CAS No.:
1254713-47-7
Catalog Number:
AG009JFJ
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009JFJ
Chemical Name:
5-(tert-butyl)-1H-pyrazole-3-carbonitrile
CAS Number:
1254713-47-7
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD20483167
IUPAC Name:
5-tert-butyl-1H-pyrazole-3-carbonitrile
InChI:
InChI=1S/C8H11N3/c1-8(2,3)7-4-6(5-9)10-11-7/h4H,1-3H3,(H,10,11)
InChI Key:
IADPOTOXWBEFEP-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c(c1)C(C)(C)C
Properties
Complexity:
183  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties