Name: Name:3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
Brand: Angene
SKU: AG00ANXR
Rating: 90 (10 reviews)

3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

CAS No.:

152559-30-3

Catalog Number:

AG00ANXR

Molecular Formula:

C11H17N3O3

Molecular Weight:

239.2710

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Product Description

Catalog Number:

AG00ANXR

Chemical Name:

3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

CAS Number:

152559-30-3

Molecular Formula:

C11H17N3O3

Molecular Weight:

239.2710

MDL Number:

MFCD22741787

IUPAC Name:

tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate

InChI:

InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-8-7(6-14)9(15)13-12-8/h4-6H2,1-3H3,(H2,12,13,15)

InChI Key:

DTLXVAXCKABFRY-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(O)n[nH]2)OC(C)(C)C

NSC Number:

674228

Properties

Complexity:

395

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.275g/mol

Monoisotopic Mass:

239.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Tert-butyl 3-oxo-2,3,4,5,6,7-hexa-hydro-1H-pyrazolo[4,3-c]pyridine-5-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20100101

Properties