3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C13H14BrN3O — CID 110538216

IUPAC3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CNCC3)cc1Br
InChIInChI=1S/C13H14BrN3O/c1-18-12-3-2-8(6-10(12)14)13-9-7-15-5-4-11(9)16-17-13/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyGKEAOFFZMVSGGA-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.49
Rot. Bonds2

About 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 110538216) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID110538216
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CNCC3)cc1Br
InChIInChI=1S/C13H14BrN3O/c1-18-12-3-2-8(6-10(12)14)13-9-7-15-5-4-11(9)16-17-13/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyGKEAOFFZMVSGGA-UHFFFAOYSA-N
XLogP2.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 110538216) is 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is COc1ccc(-c2n[nH]c3c2CNCC3)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is GKEAOFFZMVSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-18-12-3-2-8(6-10(12)14)13-9-7-15-5-4-11(9)16-17-13/h2-3,6,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 308.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).