Name: Name:tert-butyl 3-iodo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Brand: Angene
SKU: AG01ELDD
Rating: 90 (10 reviews)

tert-butyl 3-iodo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate

CAS No.:

2138122-16-2

Catalog Number:

AG01ELDD

Molecular Formula:

C12H18IN3O2

Molecular Weight:

363.1947

Catalog Number:

AG01ELDD

Chemical Name:

tert-butyl 3-iodo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate

CAS Number:

2138122-16-2

Molecular Formula:

C12H18IN3O2

Molecular Weight:

363.1947

IUPAC Name:

tert-butyl 3-iodo-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

InChI:

InChI=1S/C12H18IN3O2/c1-8-10(13)9-7-15(5-6-16(9)14-8)11(17)18-12(2,3)4/h5-7H2,1-4H3

InChI Key:

YJVHPCIZIYHKDB-UHFFFAOYSA-N

SMILES:

O=C(N1CCn2c(C1)c(I)c(n2)C)OC(C)(C)C

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

363.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

363.199g/mol

Monoisotopic Mass:

363.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7