4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine

C13H16ClN3O — CID 114274250

IUPAC4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(-n2cc(OC)cn2)n1
InChIInChI=1S/C13H16ClN3O/c1-3-4-11-5-10(7-14)6-13(16-11)17-9-12(18-2)8-15-17/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyQMKGKNDYEIZQAC-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.97
Rot. Bonds5

About 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine

4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine (PubChem CID 114274250) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine
PubChem CID114274250
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(-n2cc(OC)cn2)n1
InChIInChI=1S/C13H16ClN3O/c1-3-4-11-5-10(7-14)6-13(16-11)17-9-12(18-2)8-15-17/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyQMKGKNDYEIZQAC-UHFFFAOYSA-N
XLogP2.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.97
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 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine?
The IUPAC name of 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine (CID 114274250) is 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine is CCCc1cc(CCl)cc(-n2cc(OC)cn2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine?
The InChIKey is QMKGKNDYEIZQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-4-11-5-10(7-14)6-13(16-11)17-9-12(18-2)8-15-17/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine?
4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine has a molecular weight of 265.74 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine is sourced from PubChem (CID 114274250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).