3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine

C11H12BrN3O — CID 116801056

IUPAC3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine
SMILESCCCn1cc(Oc2cncc(Br)c2)cn1
InChIInChI=1S/C11H12BrN3O/c1-2-3-15-8-11(7-14-15)16-10-4-9(12)5-13-6-10/h4-8H,2-3H2,1H3
InChIKeyOUQXNBRHDDRAKM-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.24
Rot. Bonds4

About 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine

3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine (PubChem CID 116801056) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine
PubChem CID116801056
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine
SMILESCCCn1cc(Oc2cncc(Br)c2)cn1
InChIInChI=1S/C11H12BrN3O/c1-2-3-15-8-11(7-14-15)16-10-4-9(12)5-13-6-10/h4-8H,2-3H2,1H3
InChIKeyOUQXNBRHDDRAKM-UHFFFAOYSA-N
XLogP3.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801996
4-propoxy-1-propylpyrazole
CID 116805185
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
CID 116800405
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine?
The IUPAC name of 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine (CID 116801056) is 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine is CCCn1cc(Oc2cncc(Br)c2)cn1.
What is the InChIKey of 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine?
The InChIKey is OUQXNBRHDDRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-3-15-8-11(7-14-15)16-10-4-9(12)5-13-6-10/h4-8H,2-3H2,1H3.
What are the key properties of 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine?
3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine has a molecular weight of 282.14 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 116801056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).