4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole

C14H16Cl2N2O2 — CID 104666304

IUPAC4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2c(CCl)cc(Cl)cc2OC)cn1
InChIInChI=1S/C14H16Cl2N2O2/c1-3-18-8-10(7-17-18)9-20-14-11(6-15)4-12(16)5-13(14)19-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyXYEPYYFBNRSTGS-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.88
Rot. Bonds6

About 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole

4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole (PubChem CID 104666304) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole
PubChem CID104666304
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2c(CCl)cc(Cl)cc2OC)cn1
InChIInChI=1S/C14H16Cl2N2O2/c1-3-18-8-10(7-17-18)9-20-14-11(6-15)4-12(16)5-13(14)19-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyXYEPYYFBNRSTGS-UHFFFAOYSA-N
XLogP3.88
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
[3,5-dichloro-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 62126683
5-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethyl-1,2,4-triazole
CID 104666337
3-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzoic acid
CID 62127778
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 112613527
[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 62127791
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]benzonitrile
CID 104666290
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 62126144
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole?
The IUPAC name of 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole (CID 104666304) is 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole?
The canonical SMILES for 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole is CCn1cc(COc2c(CCl)cc(Cl)cc2OC)cn1.
What is the InChIKey of 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole?
The InChIKey is XYEPYYFBNRSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-3-18-8-10(7-17-18)9-20-14-11(6-15)4-12(16)5-13(14)19-2/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole?
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole has a molecular weight of 315.20 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole is sourced from PubChem (CID 104666304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).