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100501-56-2 | 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-1-methyl-, 1,1-dimethylethyl ester
CAS No: 100501-56-2 Catalog No: AG000266 MDL No:
Product Description
Catalog Number:
AG000266
Chemical Name:
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-1-methyl-, 1,1-dimethylethyl ester
CAS Number:
100501-56-2
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
IUPAC Name:
tert-butyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-10-9(8-15)7-13-14(10)4/h7H,5-6,8H2,1-4H3
InChI Key:
YYWOTBKMDVRWGP-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cnn2C)OC(C)(C)C
Properties
Complexity:
301
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:
0
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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