Home Carboxys ethyl 3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylate

ethyl 3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:
1321594-80-2
Catalog Number:
AG01BII7
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
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Product Description
Catalog Number:
AG01BII7
Chemical Name:
ethyl 3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylate
CAS Number:
1321594-80-2
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD22380784
IUPAC Name:
ethyl 3-methyl-1-propan-2-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-5-14-10(13)9-6-12(7(2)3)11-8(9)4/h6-7H,5H2,1-4H3
InChI Key:
KRFFWLKPAFNQGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(nc1C)C(C)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties