3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine

C15H19Cl2N3O — CID 79163859

IUPAC3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
SMILESCCc1nn(CC)c(COc2ccc(C)nc2CCl)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-4-11-15(17)13(20(5-2)19-11)9-21-14-7-6-10(3)18-12(14)8-16/h6-7H,4-5,8-9H2,1-3H3
InChIKeyWKIDCEQRJZGAEJ-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.14
Rot. Bonds6

About 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine (PubChem CID 79163859) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine.

Molecular Properties

Compound Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
PubChem CID79163859
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
SMILESCCc1nn(CC)c(COc2ccc(C)nc2CCl)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-4-11-15(17)13(20(5-2)19-11)9-21-14-7-6-10(3)18-12(14)8-16/h6-7H,4-5,8-9H2,1-3H3
InChIKeyWKIDCEQRJZGAEJ-UHFFFAOYSA-N
XLogP4.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.14
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-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
CID 79168716
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
CID 81005789
4,5-dichloro-2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]aniline
CID 107498514
[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698401
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
CID 79168623
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105161547
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151277

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine?
The IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine (CID 79163859) is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine.
What is the SMILES notation for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine?
The canonical SMILES for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine is CCc1nn(CC)c(COc2ccc(C)nc2CCl)c1Cl.
What is the InChIKey of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine?
The InChIKey is WKIDCEQRJZGAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-4-11-15(17)13(20(5-2)19-11)9-21-14-7-6-10(3)18-12(14)8-16/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine?
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine has a molecular weight of 328.24 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine is sourced from PubChem (CID 79163859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).