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

C8H13N3O — CID 67197397

IUPAC2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol
SMILESOCCn1ncc2c1CCNC2
InChIInChI=1S/C8H13N3O/c12-4-3-11-8-1-2-9-5-7(8)6-10-11/h6,9,12H,1-5H2
InChIKeyJTXXUFLVZNVNGN-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.48
Rot. Bonds2

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

2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol (PubChem CID 67197397) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol
PubChem CID67197397
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol
SMILESOCCn1ncc2c1CCNC2
InChIInChI=1S/C8H13N3O/c12-4-3-11-8-1-2-9-5-7(8)6-10-11/h6,9,12H,1-5H2
InChIKeyJTXXUFLVZNVNGN-UHFFFAOYSA-N
XLogP-0.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.48
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?
The IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol (CID 67197397) is 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol.
What is the SMILES notation for 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol?
The canonical SMILES for 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol is OCCn1ncc2c1CCNC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol?
The InChIKey is JTXXUFLVZNVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-4-3-11-8-1-2-9-5-7(8)6-10-11/h6,9,12H,1-5H2.
What are the key properties of 2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol?
2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanol has a molecular weight of 167.21 g/mol, XLogP of -0.48, 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 is sourced from PubChem (CID 67197397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).