3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole

C13H15ClN2O2 — CID 159947437

IUPAC3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
SMILESCCOc1cccc(Cl)c1COc1ccn(C)n1
InChIInChI=1S/C13H15ClN2O2/c1-3-17-12-6-4-5-11(14)10(12)9-18-13-7-8-16(2)15-13/h4-8H,3,9H2,1-2H3
InChIKeyOBQZBWMPCNSJDG-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.05
Rot. Bonds5

About 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole

3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole (PubChem CID 159947437) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
PubChem CID159947437
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
SMILESCCOc1cccc(Cl)c1COc1ccn(C)n1
InChIInChI=1S/C13H15ClN2O2/c1-3-17-12-6-4-5-11(14)10(12)9-18-13-7-8-16(2)15-13/h4-8H,3,9H2,1-2H3
InChIKeyOBQZBWMPCNSJDG-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 160628242
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
CID 155217935
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 157106420
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
3-[(2-chloro-6-prop-1-ynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217875
3-[(2-chloro-6-ethynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217958
3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole
CID 144783405

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole (CID 159947437) is 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole is CCOc1cccc(Cl)c1COc1ccn(C)n1.
What is the InChIKey of 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole?
The InChIKey is OBQZBWMPCNSJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-17-12-6-4-5-11(14)10(12)9-18-13-7-8-16(2)15-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole?
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole has a molecular weight of 266.73 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 159947437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).