Home Nitriles 2-(3-amino-1H-pyrazol-1-yl)-5-fluorobenzonitrile

2-(3-amino-1H-pyrazol-1-yl)-5-fluorobenzonitrile

CAS No.:
1343363-47-2
Catalog Number:
AG01A5MC
Molecular Formula:
C10H7FN4
Molecular Weight:
202.1878
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Product Description
Catalog Number:
AG01A5MC
Chemical Name:
2-(3-amino-1H-pyrazol-1-yl)-5-fluorobenzonitrile
CAS Number:
1343363-47-2
Molecular Formula:
C10H7FN4
Molecular Weight:
202.1878
MDL Number:
MFCD18860318
IUPAC Name:
2-(3-aminopyrazol-1-yl)-5-fluorobenzonitrile
InChI:
InChI=1S/C10H7FN4/c11-8-1-2-9(7(5-8)6-12)15-4-3-10(13)14-15/h1-5H,(H2,13,14)
InChI Key:
VFQMABBUQGBMGG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1n1ccc(n1)N
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.065g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.192g/mol
Monoisotopic Mass:
202.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties