Home > Compound List > Compound details
230301-11-8 molecular structure
click picture or here to close

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

ChemBase ID: 43695
Molecular Formular: C11H17N3O2
Molecular Mass: 223.27158
Monoisotopic Mass: 223.1320768
SMILES and InChIs

SMILES:
c12c(n[nH]c2)CCN(C(=O)OC(C)(C)C)C1
Canonical SMILES:
O=C(N1CCc2c(C1)c[nH]n2)OC(C)(C)C
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

Cite this record

CBID:43695 http://www.chembase.cn/molecule-43695.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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
Synonyms
tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
2,4,6,7-Tetrahydro-5H-pyrazolo[4,3-c]pyridine, N5-BOC protected
tert-butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
tert-Butyl 6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate
5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CAS Number
230301-11-8
924869-27-2
MDL Number
MFCD08059268
MFCD08689720
PubChem SID
162048458
PubChem CID
10398680

CALCULATED PROPERTIES

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 cm3 Polarizability 23.064371 Å3
Polar Surface Area 58.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
127 - 128 °C expand Show data source
127-128°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle