5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C14H16BrN3O — CID 84595794

IUPAC5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESBrc1ccccc1OCCN1CCc2[nH]ncc2C1
InChIInChI=1S/C14H16BrN3O/c15-12-3-1-2-4-14(12)19-8-7-18-6-5-13-11(10-18)9-16-17-13/h1-4,9H,5-8,10H2,(H,16,17)
InChIKeyDNEMCPPBEQEPQK-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.61
Rot. Bonds4

About 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 84595794) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID84595794
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESBrc1ccccc1OCCN1CCc2[nH]ncc2C1
InChIInChI=1S/C14H16BrN3O/c15-12-3-1-2-4-14(12)19-8-7-18-6-5-13-11(10-18)9-16-17-13/h1-4,9H,5-8,10H2,(H,16,17)
InChIKeyDNEMCPPBEQEPQK-UHFFFAOYSA-N
XLogP2.61
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 84595794) is 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is Brc1ccccc1OCCN1CCc2[nH]ncc2C1.
What is the InChIKey of 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is DNEMCPPBEQEPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-12-3-1-2-4-14(12)19-8-7-18-6-5-13-11(10-18)9-16-17-13/h1-4,9H,5-8,10H2,(H,16,17).
What are the key properties of 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 322.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromophenoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 84595794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).