Home Carboxys 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester

1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester

CAS No.:
133261-07-1
Catalog Number:
AG0014IF
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
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Product Description
Catalog Number:
AG0014IF
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester
CAS Number:
133261-07-1
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD08459062
IUPAC Name:
ethyl 2-methyl-5-propylpyrazole-3-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3
InChI Key:
ZPSRHLWRTVNGSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)CCC
EC Number:
603-727-7
Properties
Complexity:
197  
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:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties