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132576-21-7 | 1H-Pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-
CAS No: 132576-21-7 Catalog No: AG0010UR MDL No:
Product Description
Catalog Number:
AG0010UR
Chemical Name:
1H-Pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-
CAS Number:
132576-21-7
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
4-(3,4-dimethoxyphenyl)-5-methyl-2-phenylpyrazol-3-amine
InChI:
InChI=1S/C18H19N3O2/c1-12-17(13-9-10-15(22-2)16(11-13)23-3)18(19)21(20-12)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3
InChI Key:
YCDJFCDTUAIDAA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1c(C)nn(c1N)c1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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