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25111-96-0 | 3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
CAS No: 25111-96-0 Catalog No: AG002QJL MDL No:
Product Description
Catalog Number:
AG002QJL
Chemical Name:
3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
CAS Number:
25111-96-0
Molecular Formula:
C19H19N3O
Molecular Weight:
305.3737
IUPAC Name:
4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3
InChI Key:
YJCRUYAVDCDVCD-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1ccccc1
EC Number:
246-627-5
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.381g/mol
Monoisotopic Mass:
305.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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