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1020058-12-1 | 1H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-(4-methylphenyl)-
CAS No: 1020058-12-1 Catalog No: AG0006AC MDL No:
Product Description
Catalog Number:
AG0006AC
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-(4-methylphenyl)-
CAS Number:
1020058-12-1
Molecular Formula:
C12H12N4
Molecular Weight:
212.2505
IUPAC Name:
5-amino-3-methyl-1-(4-methylphenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C12H12N4/c1-8-3-5-10(6-4-8)16-12(14)11(7-13)9(2)15-16/h3-6H,14H2,1-2H3
InChI Key:
SBYZZFQOSVAJLI-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1N)c1ccc(cc1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.256g/mol
Monoisotopic Mass:
212.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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