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121716-27-6 | 1H-Pyrazole-4-carboxylic acid, 5-amino-3-methyl-1-phenyl-, ethyl ester
CAS No: 121716-27-6 Catalog No: AG0015MT MDL No:
Product Description
Catalog Number:
AG0015MT
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-3-methyl-1-phenyl-, ethyl ester
CAS Number:
121716-27-6
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
ethyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C13H15N3O2/c1-3-18-13(17)11-9(2)15-16(12(11)14)10-7-5-4-6-8-10/h4-8H,3,14H2,1-2H3
InChI Key:
UHGWASXMFNXBBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nn(c1N)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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