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1395493-13-6 | Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-1-phenyl-, 1,1-dimethylethyl ester
CAS No: 1395493-13-6 Catalog No: AG001B90 MDL No:
Product Description
Catalog Number:
AG001B90
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-1-phenyl-, 1,1-dimethylethyl ester
CAS Number:
1395493-13-6
Molecular Formula:
C16H19N3O2
Molecular Weight:
285.3410
IUPAC Name:
tert-butyl 1-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)18-10-12-9-17-19(14(12)11-18)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3
InChI Key:
FOMSEDUVLKLHPS-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)n(nc2)c1ccccc1)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.347g/mol
Monoisotopic Mass:
285.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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