Home Carboxys Benzyl 5-amino-1H-pyrazole-4-carboxylate

Benzyl 5-amino-1H-pyrazole-4-carboxylate

CAS No.:
32016-28-7
Catalog Number:
AG003O3S
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG003O3S
Chemical Name:
Benzyl 5-amino-1H-pyrazole-4-carboxylate
CAS Number:
32016-28-7
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD03426023
IUPAC Name:
benzyl 5-amino-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C11H11N3O2/c12-10-9(6-13-14-10)11(15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14)
InChI Key:
QBEUXDWEKIOSIL-UHFFFAOYSA-N
SMILES:
O=C(c1cn[nH]c1N)OCc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties