2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine

C13H17N3O — CID 116805488

IUPAC2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
SMILESCc1cccc(COc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H17N3O/c1-10(2)16-8-13(7-14-16)17-9-12-6-4-5-11(3)15-12/h4-8,10H,9H2,1-3H3
InChIKeyKRKPVHOKOHKJPN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine

2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine (PubChem CID 116805488) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
PubChem CID116805488
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
SMILESCc1cccc(COc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H17N3O/c1-10(2)16-8-13(7-14-16)17-9-12-6-4-5-11(3)15-12/h4-8,10H,9H2,1-3H3
InChIKeyKRKPVHOKOHKJPN-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine?
The IUPAC name of 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine (CID 116805488) is 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine?
The canonical SMILES for 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine is Cc1cccc(COc2cnn(C(C)C)c2)n1.
What is the InChIKey of 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine?
The InChIKey is KRKPVHOKOHKJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)16-8-13(7-14-16)17-9-12-6-4-5-11(3)15-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine?
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine is sourced from PubChem (CID 116805488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).