Home > Compound List > Compound details
1219976-21-2 molecular structure
click picture or here to close

1-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine hydrochloride

ChemBase ID: 49067
Molecular Formular: C11H17ClN4O
Molecular Mass: 256.73188
Monoisotopic Mass: 256.10908886
SMILES and InChIs

SMILES:
c1(c2c([nH]n1)CCNC2)C(=O)N1CCCC1.Cl
Canonical SMILES:
O=C(c1n[nH]c2c1CNCC2)N1CCCC1.Cl
InChI:
InChI=1S/C11H16N4O.ClH/c16-11(15-5-1-2-6-15)10-8-7-12-4-3-9(8)13-14-10;/h12H,1-7H2,(H,13,14);1H
InChIKey:
KJYARHNCDGZKCJ-UHFFFAOYSA-N

Cite this record

CBID:49067 http://www.chembase.cn/molecule-49067.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine hydrochloride
IUPAC Traditional name
1-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine hydrochloride
Synonyms
1-Pyrrolidinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-c]pyridin-3-yl)methanone hydrochloride
CAS Number
1219976-21-2
MDL Number
MFCD13562290
PubChem SID
162053830
PubChem CID
56831964

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
052556 external link Add to cart Please log in.
Data Source Data ID
PubChem 56831964 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.847661  H Acceptors
H Donor LogD (pH = 5.5) -3.048001 
LogD (pH = 7.4) -1.3396629  Log P -0.34339297 
Molar Refractivity 62.3317 cm3 Polarizability 22.877247 Å3
Polar Surface Area 61.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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