Home Nitriles 1H-Pyrazole-4-carbonitrile, 5-amino-1-cyclopentyl-

1H-Pyrazole-4-carbonitrile, 5-amino-1-cyclopentyl-

CAS No.:
30929-67-0
Catalog Number:
AG0031PG
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
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Product Description
Catalog Number:
AG0031PG
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-cyclopentyl-
CAS Number:
30929-67-0
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
MDL Number:
MFCD14609419
IUPAC Name:
5-amino-1-cyclopentylpyrazole-4-carbonitrile
InChI:
InChI=1S/C9H12N4/c10-5-7-6-12-13(9(7)11)8-3-1-2-4-8/h6,8H,1-4,11H2
InChI Key:
SSDLXWBYRZAWIP-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)C1CCCC1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties