Home Carboxys ethyl 3-amino-4-methyl-1H-pyrazole-5-carboxylate

ethyl 3-amino-4-methyl-1H-pyrazole-5-carboxylate

CAS No.:
1357795-98-2
Catalog Number:
AG01BNR3
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
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Product Description
Catalog Number:
AG01BNR3
Chemical Name:
ethyl 3-amino-4-methyl-1H-pyrazole-5-carboxylate
CAS Number:
1357795-98-2
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD20922179
IUPAC Name:
ethyl 3-amino-4-methyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)6(8)10-9-5/h3H2,1-2H3,(H3,8,9,10)
InChI Key:
JCKWEVDJCAISNG-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OCC)[nH]nc1N
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:
2  
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties