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81303-51-7 | ethyl 3-carbamoyl-1-methyl-1H-pyrazole-4-carboxylate
CAS No: 81303-51-7 Catalog No: AG01FI9I MDL No:
Product Description
Catalog Number:
AG01FI9I
Chemical Name:
ethyl 3-carbamoyl-1-methyl-1H-pyrazole-4-carboxylate
CAS Number:
81303-51-7
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
ethyl 3-carbamoyl-1-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C8H11N3O3/c1-3-14-8(13)5-4-11(2)10-6(5)7(9)12/h4H,3H2,1-2H3,(H2,9,12)
InChI Key:
AWSNPRPAZUJTDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(nc1C(=O)N)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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