2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine

C14H18ClN3O — CID 79800563

IUPAC2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine
SMILESCCc1cc(COc2ccc(CCl)nc2)n(CC)n1
InChIInChI=1S/C14H18ClN3O/c1-3-11-7-13(18(4-2)17-11)10-19-14-6-5-12(8-15)16-9-14/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyBXKBPLQEFIZLPG-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.18
Rot. Bonds6

About 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine

2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine (PubChem CID 79800563) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine
PubChem CID79800563
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine
SMILESCCc1cc(COc2ccc(CCl)nc2)n(CC)n1
InChIInChI=1S/C14H18ClN3O/c1-3-11-7-13(18(4-2)17-11)10-19-14-6-5-12(8-15)16-9-14/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyBXKBPLQEFIZLPG-UHFFFAOYSA-N
XLogP3.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
CID 79800385
2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709539
3-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenol
CID 107679807
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
CID 79800294
4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 114323567
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
CID 79800388
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79799554

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine (CID 79800563) is 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine is CCc1cc(COc2ccc(CCl)nc2)n(CC)n1.
What is the InChIKey of 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine?
The InChIKey is BXKBPLQEFIZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-11-7-13(18(4-2)17-11)10-19-14-6-5-12(8-15)16-9-14/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine?
2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine is sourced from PubChem (CID 79800563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).