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1150164-14-9 | 1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-methoxyphenyl)-, ethyl ester
CAS No: 1150164-14-9 Catalog No: AG000FNW MDL No:MFCD09835750
Product Description
Catalog Number:
AG000FNW
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-methoxyphenyl)-, ethyl ester
CAS Number:
1150164-14-9
Molecular Formula:
C14H14N4O3
Molecular Weight:
286.2860
MDL Number:
MFCD09835750
IUPAC Name:
ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C14H14N4O3/c1-3-21-14(19)12-11(8-15)13(16)18(17-12)9-5-4-6-10(7-9)20-2/h4-7H,3,16H2,1-2H3
InChI Key:
LLPZWIYSOWNJQQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)OC
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.291g/mol
Monoisotopic Mass:
286.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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