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Home > Fluorides > 101708-03-6
101708-03-6 | 1H-Pyrazole-3-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-
CAS No: 101708-03-6 Catalog No: AG00059Q MDL No:
Product Description
Catalog Number:
AG00059Q
Chemical Name:
1H-Pyrazole-3-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-
CAS Number:
101708-03-6
Molecular Formula:
C12H10F3N3O
Molecular Weight:
269.2225
IUPAC Name:
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
InChI:
InChI=1S/C12H10F3N3O/c1-7-6-10(18-17-7)11(19)16-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChI Key:
TWHFXPYYNZKSMU-UHFFFAOYSA-N
SMILES:
O=C(c1cc([nH]n1)C)Nc1ccc(cc1)C(F)(F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.227g/mol
Monoisotopic Mass:
269.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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