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164668-12-6 | 1H-Pyrazol-5-amine, 4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-
CAS No: 164668-12-6 Catalog No: AG001V10 MDL No:MFCD12653214
Product Description
Catalog Number:
AG001V10
Chemical Name:
1H-Pyrazol-5-amine, 4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-
CAS Number:
164668-12-6
Molecular Formula:
C12H12F3N3O
Molecular Weight:
271.2384
MDL Number:
MFCD12653214
IUPAC Name:
4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-amine
InChI:
InChI=1S/C12H12F3N3O/c1-18-11(16)9(10(17-18)12(13,14)15)7-3-5-8(19-2)6-4-7/h3-6H,16H2,1-2H3
InChI Key:
OEIOOZFPQRWYMX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(N)n(nc1C(F)(F)F)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.243g/mol
Monoisotopic Mass:
271.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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