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89202-86-8 | 1H-Pyrazole-3-carboxamide, 1,4-dimethyl-N-phenyl-
CAS No: 89202-86-8 Catalog No: AG00456T MDL No:
Product Description
Catalog Number:
AG00456T
Chemical Name:
1H-Pyrazole-3-carboxamide, 1,4-dimethyl-N-phenyl-
CAS Number:
89202-86-8
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
1,4-dimethyl-N-phenylpyrazole-3-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-9-8-15(2)14-11(9)12(16)13-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
InChI Key:
QYNZJRZGPPSOJJ-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(=O)Nc1ccccc1)C
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:
1.8
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