5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine

C13H17N3O — CID 90945123

IUPAC5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine
SMILESCC(C)COc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H17N3O/c1-10(2)9-17-12-4-5-13(14-7-12)11-6-15-16(3)8-11/h4-8,10H,9H2,1-3H3
InChIKeyUWSSZJWBJJWJKR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds4

About 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine

5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine (PubChem CID 90945123) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine
PubChem CID90945123
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine
SMILESCC(C)COc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H17N3O/c1-10(2)9-17-12-4-5-13(14-7-12)11-6-15-16(3)8-11/h4-8,10H,9H2,1-3H3
InChIKeyUWSSZJWBJJWJKR-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine (CID 90945123) is 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine is CC(C)COc1ccc(-c2cnn(C)c2)nc1.
What is the InChIKey of 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is UWSSZJWBJJWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)9-17-12-4-5-13(14-7-12)11-6-15-16(3)8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine?
5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 90945123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).