3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine

C12H14ClN3O — CID 116802722

IUPAC3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
SMILESCC(C)n1cc(Oc2ncccc2CCl)cn1
InChIInChI=1S/C12H14ClN3O/c1-9(2)16-8-11(7-15-16)17-12-10(6-13)4-3-5-14-12/h3-5,7-9H,6H2,1-2H3
InChIKeyPNAMZFLTFMTWGW-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.39
Rot. Bonds4

About 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine

3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine (PubChem CID 116802722) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
PubChem CID116802722
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
SMILESCC(C)n1cc(Oc2ncccc2CCl)cn1
InChIInChI=1S/C12H14ClN3O/c1-9(2)16-8-11(7-15-16)17-12-10(6-13)4-3-5-14-12/h3-5,7-9H,6H2,1-2H3
InChIKeyPNAMZFLTFMTWGW-UHFFFAOYSA-N
XLogP3.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine 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 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine?
The IUPAC name of 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine (CID 116802722) is 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine is CC(C)n1cc(Oc2ncccc2CCl)cn1.
What is the InChIKey of 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine?
The InChIKey is PNAMZFLTFMTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-9(2)16-8-11(7-15-16)17-12-10(6-13)4-3-5-14-12/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine?
3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine has a molecular weight of 251.72 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 116802722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).