Home Carboxys 5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

CAS No.:
70500-80-0
Catalog Number:
AG00FFBJ
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
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Product Description
Catalog Number:
AG00FFBJ
Chemical Name:
5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
CAS Number:
70500-80-0
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD06357432
IUPAC Name:
ethyl 5-amino-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3,8H2,1-2H3
InChI Key:
KTRQSZBRYRHIKL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)N)C
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties