4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole

C14H17ClN2O2 — CID 62126746

IUPAC4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
SMILESCCOc1cccc(CCl)c1OCc1cnn(C)c1
InChIInChI=1S/C14H17ClN2O2/c1-3-18-13-6-4-5-12(7-15)14(13)19-10-11-8-16-17(2)9-11/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyGBFAWGILHSHXKD-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.14
Rot. Bonds6

About 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole

4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole (PubChem CID 62126746) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
PubChem CID62126746
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
SMILESCCOc1cccc(CCl)c1OCc1cnn(C)c1
InChIInChI=1S/C14H17ClN2O2/c1-3-18-13-6-4-5-12(7-15)14(13)19-10-11-8-16-17(2)9-11/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyGBFAWGILHSHXKD-UHFFFAOYSA-N
XLogP3.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole 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

1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60907055
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 61389688
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 112613527
N-[[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 61390113
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65457606
[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782929

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole (CID 62126746) is 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole is CCOc1cccc(CCl)c1OCc1cnn(C)c1.
What is the InChIKey of 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole?
The InChIKey is GBFAWGILHSHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-18-13-6-4-5-12(7-15)14(13)19-10-11-8-16-17(2)9-11/h4-6,8-9H,3,7,10H2,1-2H3.
What are the key properties of 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole?
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole has a molecular weight of 280.76 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole is sourced from PubChem (CID 62126746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).