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

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

CAS No.:
923283-57-2
Catalog Number:
AG00H574
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
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Product Description
Catalog Number:
AG00H574
Chemical Name:
methyl 4-amino-1-ethyl-1H-pyrazole-5-carboxylate
CAS Number:
923283-57-2
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD16619951
IUPAC Name:
methyl 4-amino-2-ethylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H11N3O2/c1-3-10-6(7(11)12-2)5(8)4-9-10/h4H,3,8H2,1-2H3
InChI Key:
JKUAKLZRAQWJFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)cnn1CC
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:
0.6  
Properties