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85290-81-9 | 1H-Pyrazole-4-carboxamide, 1,5-dimethyl-N-phenyl-
CAS No: 85290-81-9 Catalog No: AG004UVO MDL No:
Product Description
Catalog Number:
AG004UVO
Chemical Name:
1H-Pyrazole-4-carboxamide, 1,5-dimethyl-N-phenyl-
CAS Number:
85290-81-9
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-9-11(8-13-15(9)2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChI Key:
MGGRAOFRAMMBQU-UHFFFAOYSA-N
SMILES:
O=C(c1cnn(c1C)C)Nc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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