4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole

C14H15Cl3N2O — CID 115956601

IUPAC4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(COc2c(Cl)cccc2CCl)c1Cl
InChIInChI=1S/C14H15Cl3N2O/c1-3-11-13(17)12(19(2)18-11)8-20-14-9(7-15)5-4-6-10(14)16/h4-6H,3,7-8H2,1-2H3
InChIKeyOOXOQPCPZZCJAS-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.61
Rot. Bonds5

About 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole

4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole (PubChem CID 115956601) has the molecular formula C14H15Cl3N2O and a molecular weight of 333.65 g/mol. Its IUPAC name is 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole
PubChem CID115956601
Molecular FormulaC14H15Cl3N2O
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(COc2c(Cl)cccc2CCl)c1Cl
InChIInChI=1S/C14H15Cl3N2O/c1-3-11-13(17)12(19(2)18-11)8-20-14-9(7-15)5-4-6-10(14)16/h4-6H,3,7-8H2,1-2H3
InChIKeyOOXOQPCPZZCJAS-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]aniline
CID 81499785
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluoroaniline
CID 104831258
4-chloro-5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 112613378
2-chloro-6-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzenecarbothioamide
CID 114322970
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 115955859
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 112613527
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025841
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
CID 116804653
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole (CID 115956601) is 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole is CCc1nn(C)c(COc2c(Cl)cccc2CCl)c1Cl.
What is the InChIKey of 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole?
The InChIKey is OOXOQPCPZZCJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O/c1-3-11-13(17)12(19(2)18-11)8-20-14-9(7-15)5-4-6-10(14)16/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole?
4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole has a molecular weight of 333.65 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 115956601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).