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1225218-81-4 | 1-Pyrrolidinecarboxylic acid, 3-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
CAS No: 1225218-81-4 Catalog No: AG0017DE MDL No:
Product Description
Catalog Number:
AG0017DE
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
CAS Number:
1225218-81-4
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
IUPAC Name:
tert-butyl 3-(1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-7-5-9(8-15)10-4-6-13-14-10/h4,6,9H,5,7-8H2,1-3H3,(H,13,14)
InChI Key:
WLWKRGQGMWUYIB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)c1n[nH]cc1)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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