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82559-57-7 | Benzamide, N-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-2,6-dimethoxy-
CAS No: 82559-57-7 Catalog No: AG004YQP MDL No:
Product Description
Catalog Number:
AG004YQP
Chemical Name:
Benzamide, N-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-2,6-dimethoxy-
CAS Number:
82559-57-7
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,6-dimethoxybenzamide
InChI:
InChI=1S/C16H21N3O3/c1-16(2,3)12-9-13(19-18-12)17-15(20)14-10(21-4)7-6-8-11(14)22-5/h6-9H,1-5H3,(H2,17,18,19,20)
InChI Key:
FTUMANTVCBZJKC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1n[nH]c(c1)C(C)(C)C)OC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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