Home > Compound List > Compound details
1256643-50-1 molecular structure
click picture or here to close

1-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

ChemBase ID: 309575
Molecular Formular: C10H15N3O2
Molecular Mass: 209.245
Monoisotopic Mass: 209.11642674
SMILES and InChIs

SMILES:
c1(c2c(n(n1)C(C)C)CCNC2)C(=O)O
Canonical SMILES:
OC(=O)c1nn(c2c1CNCC2)C(C)C
InChI:
InChI=1S/C10H15N3O2/c1-6(2)13-8-3-4-11-5-7(8)9(12-13)10(14)15/h6,11H,3-5H2,1-2H3,(H,14,15)
InChIKey:
FIVYOYKXMCXQOV-UHFFFAOYSA-N

Cite this record

CBID:309575 http://www.chembase.cn/molecule-309575.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
IUPAC Traditional name
1-isopropyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
Synonyms
1-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CAS Number
1256643-50-1
MDL Number
MFCD18381932

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4042884 external link Add to cart
Data Source Data ID Price
ChemBridge
4042884 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9649556  LogD (pH = 7.4) -1.9835267 
Log P -1.9648062  Molar Refractivity 67.5585 cm3
Polarizability 21.198048 Å3 Polar Surface Area 67.15 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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