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1020058-21-2 | 1H-Pyrazole-3-carbonitrile, 5-amino-1-(4-methylphenyl)-
CAS No: 1020058-21-2 Catalog No: AG0006AB MDL No:
Product Description
Catalog Number:
AG0006AB
Chemical Name:
1H-Pyrazole-3-carbonitrile, 5-amino-1-(4-methylphenyl)-
CAS Number:
1020058-21-2
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
IUPAC Name:
5-amino-1-(4-methylphenyl)pyrazole-3-carbonitrile
InChI:
InChI=1S/C11H10N4/c1-8-2-4-10(5-3-8)15-11(13)6-9(7-12)14-15/h2-6H,13H2,1H3
InChI Key:
ORXMGTXSFBLUAE-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c(c1)N)c1ccc(cc1)C
Properties
Complexity:
261
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:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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