Home Nitriles 2-(3-cyclopropyl-1H-pyrazol-1-yl)benzonitrile

2-(3-cyclopropyl-1H-pyrazol-1-yl)benzonitrile

CAS No.:
1248441-89-5
Catalog Number:
AG01AM7W
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
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Product Description
Catalog Number:
AG01AM7W
Chemical Name:
2-(3-cyclopropyl-1H-pyrazol-1-yl)benzonitrile
CAS Number:
1248441-89-5
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
MDL Number:
MFCD16778507
IUPAC Name:
2-(3-cyclopropylpyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C13H11N3/c14-9-11-3-1-2-4-13(11)16-8-7-12(15-16)10-5-6-10/h1-4,7-8,10H,5-6H2
InChI Key:
YYAWTQVNFSZBGK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1n1ccc(n1)C1CC1
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties