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1396967-66-0 | 1-Pyrrolidinecarboxylic acid, 2-(3-amino-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester
CAS No: 1396967-66-0 Catalog No: AG001BI6 MDL No:
Product Description
Catalog Number:
AG001BI6
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(3-amino-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester
CAS Number:
1396967-66-0
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
IUPAC Name:
tert-butyl 2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-6-4-5-9(16)8-7-10(13)15-14-8/h7,9H,4-6H2,1-3H3,(H3,13,14,15)
InChI Key:
KBOWWRPKCWLRQA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1c1[nH]nc(c1)N)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.159g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.318g/mol
Monoisotopic Mass:
252.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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