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1244948-94-4 | 1H-Pyrazol-3-amine, 5-(1,1-dimethylethyl)-1-(4-methylphenyl)-
CAS No: 1244948-94-4 Catalog No: AG000M3N MDL No:
Product Description
Catalog Number:
AG000M3N
Chemical Name:
1H-Pyrazol-3-amine, 5-(1,1-dimethylethyl)-1-(4-methylphenyl)-
CAS Number:
1244948-94-4
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
IUPAC Name:
5-tert-butyl-1-(4-methylphenyl)pyrazol-3-amine
InChI:
InChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-12(14(2,3)4)9-13(15)16-17/h5-9H,1-4H3,(H2,15,16)
InChI Key:
STOLQKMGJOEKPZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nc(cc1C(C)(C)C)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.327g/mol
Monoisotopic Mass:
229.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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