4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C11H12BrN3O — CID 165470401

IUPAC4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCn1ncc(C2NCCc3occc32)c1Br
InChIInChI=1S/C11H12BrN3O/c1-15-11(12)8(6-14-15)10-7-3-5-16-9(7)2-4-13-10/h3,5-6,10,13H,2,4H2,1H3
InChIKeyABBBJAWZAFJYEK-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.01
Rot. Bonds1

About 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 165470401) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID165470401
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCn1ncc(C2NCCc3occc32)c1Br
InChIInChI=1S/C11H12BrN3O/c1-15-11(12)8(6-14-15)10-7-3-5-16-9(7)2-4-13-10/h3,5-6,10,13H,2,4H2,1H3
InChIKeyABBBJAWZAFJYEK-UHFFFAOYSA-N
XLogP2.01
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 165470401) is 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is Cn1ncc(C2NCCc3occc32)c1Br.
What is the InChIKey of 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is ABBBJAWZAFJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-11(12)8(6-14-15)10-7-3-5-16-9(7)2-4-13-10/h3,5-6,10,13H,2,4H2,1H3.
What are the key properties of 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 165470401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).