ethyl 1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxylate


Chemical Name: ethyl 1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxylate
CAS Number: 1260992-85-5
Product Number: AG00HIVT(AGN-PC-0WAYIR)
Synonyms:
MDL No: MFCD18194714
Molecular Formula: C12H19N3O4S
Molecular Weight: 301.3620

Identification/Properties


Computed Properties
Molecular Weight:
301.361g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
301.11g/mol
Monoisotopic Mass:
301.11g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
442
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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