3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine

C14H19N3O — CID 112558733

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
SMILESCCC(CC)n1ccc(COc2cccnc2)n1
InChIInChI=1S/C14H19N3O/c1-3-13(4-2)17-9-7-12(16-17)11-18-14-6-5-8-15-10-14/h5-10,13H,3-4,11H2,1-2H3
InChIKeySDPBNGSYBPMDTF-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.22
Rot. Bonds6

About 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine

3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine (PubChem CID 112558733) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
PubChem CID112558733
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
SMILESCCC(CC)n1ccc(COc2cccnc2)n1
InChIInChI=1S/C14H19N3O/c1-3-13(4-2)17-9-7-12(16-17)11-18-14-6-5-8-15-10-14/h5-10,13H,3-4,11H2,1-2H3
InChIKeySDPBNGSYBPMDTF-UHFFFAOYSA-N
XLogP3.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine (CID 112558733) is 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine is CCC(CC)n1ccc(COc2cccnc2)n1.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine?
The InChIKey is SDPBNGSYBPMDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-13(4-2)17-9-7-12(16-17)11-18-14-6-5-8-15-10-14/h5-10,13H,3-4,11H2,1-2H3.
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine?
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine has a molecular weight of 245.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine is sourced from PubChem (CID 112558733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).