5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole

C14H17ClN2O — CID 103003805

IUPAC5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
SMILESCc1cccc(CCl)c1OCCc1ccnn1C
InChIInChI=1S/C14H17ClN2O/c1-11-4-3-5-12(10-15)14(11)18-9-7-13-6-8-16-17(13)2/h3-6,8H,7,9-10H2,1-2H3
InChIKeyDOCRJDMZGVTPJT-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.09
Rot. Bonds5

About 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole

5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole (PubChem CID 103003805) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
PubChem CID103003805
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
SMILESCc1cccc(CCl)c1OCCc1ccnn1C
InChIInChI=1S/C14H17ClN2O/c1-11-4-3-5-12(10-15)14(11)18-9-7-13-6-8-16-17(13)2/h3-6,8H,7,9-10H2,1-2H3
InChIKeyDOCRJDMZGVTPJT-UHFFFAOYSA-N
XLogP3.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-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

5-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003812
1-(chloromethyl)-2-(4-methoxybutoxy)-3-methylbenzene
CID 104648135
3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 103002570
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
3-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 103002882
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999751
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
4-chloro-5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 112613378
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 112613264
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
1-(chloromethyl)-3-methyl-2-(2-methylsulfonylethoxy)benzene
CID 112613387
1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methylbenzene
CID 112613382

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole (CID 103003805) is 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole is Cc1cccc(CCl)c1OCCc1ccnn1C.
What is the InChIKey of 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole?
The InChIKey is DOCRJDMZGVTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-11-4-3-5-12(10-15)14(11)18-9-7-13-6-8-16-17(13)2/h3-6,8H,7,9-10H2,1-2H3.
What are the key properties of 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole?
5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole has a molecular weight of 264.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103003805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).