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89202-87-9 | 1H-Pyrazole-5-carboxamide, 1,3,4-trimethyl-N-phenyl-
CAS No: 89202-87-9 Catalog No: AG00456S MDL No:
Product Description
Catalog Number:
AG00456S
Chemical Name:
1H-Pyrazole-5-carboxamide, 1,3,4-trimethyl-N-phenyl-
CAS Number:
89202-87-9
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
2,4,5-trimethyl-N-phenylpyrazole-3-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-9-10(2)15-16(3)12(9)13(17)14-11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChI Key:
UHUWYEZKQSJZPG-UHFFFAOYSA-N
SMILES:
O=C(c1n(C)nc(c1C)C)Nc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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