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1395493-04-5 | Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-2-(2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1395493-04-5 Catalog No: AG001B7T MDL No:
Product Description
Catalog Number:
AG001B7T
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-2-(2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1395493-04-5
Molecular Formula:
C15H18N4O2
Molecular Weight:
286.3290
IUPAC Name:
tert-butyl 2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C15H18N4O2/c1-15(2,3)21-14(20)18-8-11-9-19(17-12(11)10-18)13-6-4-5-7-16-13/h4-7,9H,8,10H2,1-3H3
InChI Key:
ZNNXMJXYNONWET-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cn(n2)c1ccccn1)OC(C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.335g/mol
Monoisotopic Mass:
286.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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