5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole

C15H19ClN2O — CID 112613264

IUPAC5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1cc(COc2c(C)cccc2CCl)n(C)n1
InChIInChI=1S/C15H19ClN2O/c1-4-13-8-14(18(3)17-13)10-19-15-11(2)6-5-7-12(15)9-16/h5-8H,4,9-10H2,1-3H3
InChIKeyMIMFCTVPYFTXRB-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.61
Rot. Bonds5

About 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole

5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole (PubChem CID 112613264) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
PubChem CID112613264
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1cc(COc2c(C)cccc2CCl)n(C)n1
InChIInChI=1S/C15H19ClN2O/c1-4-13-8-14(18(3)17-13)10-19-15-11(2)6-5-7-12(15)9-16/h5-8H,4,9-10H2,1-3H3
InChIKeyMIMFCTVPYFTXRB-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-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

4-chloro-5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 112613378
2-[5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylphenyl]ethanamine
CID 115962732
5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde
CID 115961904
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954077
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504
5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003805
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
CID 112641170
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methylbenzene
CID 112613382
[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 112607433
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole (CID 112613264) is 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole is CCc1cc(COc2c(C)cccc2CCl)n(C)n1.
What is the InChIKey of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole?
The InChIKey is MIMFCTVPYFTXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-4-13-8-14(18(3)17-13)10-19-15-11(2)6-5-7-12(15)9-16/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole?
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole has a molecular weight of 278.78 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 112613264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).