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19730-19-9 | 1H-Pyrazol-4-amine, N-ethyl-3-methyl-1-phenyl-
CAS No: 19730-19-9 Catalog No: AG002AQB MDL No:
Product Description
Catalog Number:
AG002AQB
Chemical Name:
1H-Pyrazol-4-amine, N-ethyl-3-methyl-1-phenyl-
CAS Number:
19730-19-9
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
IUPAC Name:
N-ethyl-3-methyl-1-phenylpyrazol-4-amine
InChI:
InChI=1S/C12H15N3/c1-3-13-12-9-15(14-10(12)2)11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3
InChI Key:
IGGXORUTHQWCGM-UHFFFAOYSA-N
SMILES:
CCNc1cn(nc1C)c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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