CAS 924869-27-2|CAS 230301-11-8|tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate|tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate|tert-butyl 2H,4H,6H,7H-pyrazol...

General Information

Structure

Molecular Formula

C₁₁H₁₇N₃O₂

Molecular Mass

223.27158

Exact Mass

223.1320768

Charge

InChI

InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)

InChIKey

BHYPERDTLBCHAE-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCc2c(C1)c[nH]n2)OC(C)(C)C

Isomeric Smiles

c12c(n[nH]c2)CCN(C(=O)OC(C)(C)C)C1

Calculated Properties

JChem

Acid pKa

13.805996

H Acceptors

H Donor

LogD (pH = 5.5)

0.85007006

LogD (pH = 7.4)

0.8501586

Log P

0.8501599

Molar Refractivity

61.286

Polarizability

23.064371

Polar Surface Area

58.22

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridinetert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate2,4,6,7-Tetrahydro-5H-pyrazolo[4,3-c]pyridine, N5-BOC protectedtert-Butyl 6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylatetert-butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD08689720MFCD08059268

CAS Number

924869-27-2230301-11-8

PubChem SID

162048458

PubChem CID

10398680