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127056-80-8 | 2-Pyrrolidinone, 1-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-5-hydroxy-3-methyl-
CAS No: 127056-80-8 Catalog No: AG000WMS MDL No:
Product Description
Catalog Number:
AG000WMS
Chemical Name:
2-Pyrrolidinone, 1-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-5-hydroxy-3-methyl-
CAS Number:
127056-80-8
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
IUPAC Name:
1-(5-tert-butyl-1H-pyrazol-3-yl)-5-hydroxy-3-methylpyrrolidin-2-one
InChI:
InChI=1S/C12H19N3O2/c1-7-5-10(16)15(11(7)17)9-6-8(13-14-9)12(2,3)4/h6-7,10,16H,5H2,1-4H3,(H,13,14)
InChI Key:
RCHLYUYSYUIXBY-UHFFFAOYSA-N
SMILES:
OC1CC(C(=O)N1c1n[nH]c(c1)C(C)(C)C)C
Properties
Complexity:
313
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:
2
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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