Home Carboxys ethyl 5-amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylate

ethyl 5-amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylate

CAS No.:
1789723-06-3
Catalog Number:
AG01EMLG
Molecular Formula:
C9H15N3O3
Molecular Weight:
213.2337
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Product Description
Catalog Number:
AG01EMLG
Chemical Name:
ethyl 5-amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylate
CAS Number:
1789723-06-3
Molecular Formula:
C9H15N3O3
Molecular Weight:
213.2337
MDL Number:
MFCD31381347
IUPAC Name:
ethyl 5-amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C9H15N3O3/c1-3-15-9(14)7-6(2)11-12(4-5-13)8(7)10/h13H,3-5,10H2,1-2H3
InChI Key:
XWTODZYBVTUNTP-UHFFFAOYSA-N
SMILES:
OCCn1nc(c(c1N)C(=O)OCC)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.237g/mol
Monoisotopic Mass:
213.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties