2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

C15H20ClN3O — CID 62732030

IUPAC2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCCC(Cl)c1cnn(Cc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-13(16)12-7-18-19(8-12)9-14-11(3)15(20-4)10(2)6-17-14/h6-8,13H,5,9H2,1-4H3
InChIKeyXPEBZGJPMVCCJW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.64
Rot. Bonds5

About 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 62732030) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID62732030
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCCC(Cl)c1cnn(Cc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-13(16)12-7-18-19(8-12)9-14-11(3)15(20-4)10(2)6-17-14/h6-8,13H,5,9H2,1-4H3
InChIKeyXPEBZGJPMVCCJW-UHFFFAOYSA-N
XLogP3.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (CID 62732030) is 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is CCC(Cl)c1cnn(Cc2ncc(C)c(OC)c2C)c1.
What is the InChIKey of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is XPEBZGJPMVCCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-13(16)12-7-18-19(8-12)9-14-11(3)15(20-4)10(2)6-17-14/h6-8,13H,5,9H2,1-4H3.
What are the key properties of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 293.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 62732030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).