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1003992-23-1

1003992-23-1 | 4-m-Tolyl-2-p-tolyl-2H-pyrazol-3-ylamine

CAS No: 1003992-23-1 Catalog No: AG01FBR9 MDL No:

Product Description

Catalog Number:
AG01FBR9
Chemical Name:
4-m-Tolyl-2-p-tolyl-2H-pyrazol-3-ylamine
CAS Number:
1003992-23-1
Molecular Formula:
C17H17N3
Molecular Weight:
263.3370
IUPAC Name:
4-(3-methylphenyl)-2-(4-methylphenyl)sulfonylpyrazol-3-amine
InChI:
InChI=1S/C17H17N3O2S/c1-12-6-8-15(9-7-12)23(21,22)20-17(18)16(11-19-20)14-5-3-4-13(2)10-14/h3-11H,18H2,1-2H3
InChI Key:
XOQMEGUDJXFBQS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc(c1N)c1cccc(c1)C

Properties

Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.104g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.402g/mol
Monoisotopic Mass:
327.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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