Home Nitriles 5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carbonitrile

5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carbonitrile

CAS No.:
106898-37-7
Catalog Number:
AG0093RS
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
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Product Description
Catalog Number:
AG0093RS
Chemical Name:
5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carbonitrile
CAS Number:
106898-37-7
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
MDL Number:
MFCD09703274
IUPAC Name:
5-amino-1-pyridin-4-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C9H7N5/c10-5-7-6-13-14(9(7)11)8-1-3-12-4-2-8/h1-4,6H,11H2
InChI Key:
YJQFNOQKDZGZAE-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccncc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.07g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.19g/mol
Monoisotopic Mass:
185.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties