Home Carboxys ethyl 1-(piperidin-3-yl)-1H-pyrazole-4-carboxylate

ethyl 1-(piperidin-3-yl)-1H-pyrazole-4-carboxylate

CAS No.:
1427380-09-3
Catalog Number:
AG01A3ZA
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
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Product Description
Catalog Number:
AG01A3ZA
Chemical Name:
ethyl 1-(piperidin-3-yl)-1H-pyrazole-4-carboxylate
CAS Number:
1427380-09-3
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD23144168
IUPAC Name:
ethyl 1-piperidin-3-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C11H17N3O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10/h6,8,10,12H,2-5,7H2,1H3
InChI Key:
IVGRUUPJAVOOCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)C1CCCNC1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties