2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride

C8H15Cl2N3O — CID 67197396

IUPAC2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride
SMILESCl.Cl.OCCn1ncc2c1CCNC2
InChIInChI=1S/C8H13N3O.2ClH/c12-4-3-11-8-1-2-9-5-7(8)6-10-11;;/h6,9,12H,1-5H2;2*1H
InChIKeyLVCILDASZGWIAI-UHFFFAOYSA-N
MW240.13 g/mol
LogP0.36
Rot. Bonds2

About 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride

2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride (PubChem CID 67197396) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride
PubChem CID67197396
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride
SMILESCl.Cl.OCCn1ncc2c1CCNC2
InChIInChI=1S/C8H13N3O.2ClH/c12-4-3-11-8-1-2-9-5-7(8)6-10-11;;/h6,9,12H,1-5H2;2*1H
InChIKeyLVCILDASZGWIAI-UHFFFAOYSA-N
XLogP0.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride?
The IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride (CID 67197396) is 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride.
What is the SMILES notation for 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride?
The canonical SMILES for 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride is Cl.Cl.OCCn1ncc2c1CCNC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride?
The InChIKey is LVCILDASZGWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c12-4-3-11-8-1-2-9-5-7(8)6-10-11;;/h6,9,12H,1-5H2;2*1H.
What are the key properties of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride?
2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol;dihydrochloride is sourced from PubChem (CID 67197396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).