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126208-61-5 | 1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-phenyl-
CAS No: 126208-61-5 Catalog No: AG000SD3 MDL No:MFCD02091535
Product Description
Catalog Number:
AG000SD3
Chemical Name:
1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-phenyl-
CAS Number:
126208-61-5
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD02091535
IUPAC Name:
5-tert-butyl-2-phenylpyrazol-3-amine
InChI:
InChI=1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
InChI Key:
GFWSTBBSSBVVQP-UHFFFAOYSA-N
SMILES:
Nc1cc(nn1c1ccccc1)C(C)(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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