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203870-53-5 | 1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-5-(2,4,6-trimethylphenyl)-, ethyl ester
CAS No: 203870-53-5 Catalog No: AG00295G MDL No:
Product Description
Catalog Number:
AG00295G
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-5-(2,4,6-trimethylphenyl)-, ethyl ester
CAS Number:
203870-53-5
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
IUPAC Name:
ethyl 4-amino-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C16H21N3O2/c1-6-21-16(20)14-13(17)15(19(5)18-14)12-10(3)7-9(2)8-11(12)4/h7-8H,6,17H2,1-5H3
InChI Key:
XOOVPSWVKXLWKN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1N)c1c(C)cc(cc1C)C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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