3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H22BrN3O — CID 110534816

IUPAC3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3ccc(OCC)c(Br)c3)c2C1
InChIInChI=1S/C17H22BrN3O/c1-3-8-21-9-7-15-13(11-21)17(20-19-15)12-5-6-16(22-4-2)14(18)10-12/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,20)
InChIKeyQMAXCSYFYKSUAN-UHFFFAOYSA-N
MW364.29 g/mol
LogP4.01
Rot. Bonds5

About 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110534816) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110534816
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3ccc(OCC)c(Br)c3)c2C1
InChIInChI=1S/C17H22BrN3O/c1-3-8-21-9-7-15-13(11-21)17(20-19-15)12-5-6-16(22-4-2)14(18)10-12/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,20)
InChIKeyQMAXCSYFYKSUAN-UHFFFAOYSA-N
XLogP4.01
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110534816) is 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCN1CCc2[nH]nc(-c3ccc(OCC)c(Br)c3)c2C1.
What is the InChIKey of 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is QMAXCSYFYKSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-3-8-21-9-7-15-13(11-21)17(20-19-15)12-5-6-16(22-4-2)14(18)10-12/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 364.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110534816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).