sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 1H-Pyrazole-4-carbonitrile, 5-amino-1-(phenylmethyl)-

1H-Pyrazole-4-carbonitrile, 5-amino-1-(phenylmethyl)-

CAS No.:
91091-13-3
Catalog Number:
AG00IGHA
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IGHA
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-(phenylmethyl)-
CAS Number:
91091-13-3
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD00128291
IUPAC Name:
5-amino-1-benzylpyrazole-4-carbonitrile
InChI:
InChI=1S/C11H10N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h1-5,7H,8,13H2
InChI Key:
GAVXFBPVQOBHDS-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)Cc1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.229g/mol
Monoisotopic Mass:
198.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties