3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride

C14H15ClN2O3 — CID 161470695

IUPAC3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
SMILESCCOc1cccc(C(=O)Cl)c1COc1ccn(C)n1
InChIInChI=1S/C14H15ClN2O3/c1-3-19-12-6-4-5-10(14(15)18)11(12)9-20-13-7-8-17(2)16-13/h4-8H,3,9H2,1-2H3
InChIKeyWDAQQLLUUDYDJC-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.78
Rot. Bonds6

About 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride

3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride (PubChem CID 161470695) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride.

Molecular Properties

Compound Name3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
PubChem CID161470695
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
SMILESCCOc1cccc(C(=O)Cl)c1COc1ccn(C)n1
InChIInChI=1S/C14H15ClN2O3/c1-3-19-12-6-4-5-10(14(15)18)11(12)9-20-13-7-8-17(2)16-13/h4-8H,3,9H2,1-2H3
InChIKeyWDAQQLLUUDYDJC-UHFFFAOYSA-N
XLogP2.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217864
2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzoyl chloride
CID 158512862
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoyl chloride
CID 126579439
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 157106420
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-en-2-ylbenzoate
CID 160994598
3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579877
propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159704171
propyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoate
CID 161300654
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
The IUPAC name of 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride (CID 161470695) is 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride.
What is the SMILES notation for 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
The canonical SMILES for 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride is CCOc1cccc(C(=O)Cl)c1COc1ccn(C)n1.
What is the InChIKey of 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
The InChIKey is WDAQQLLUUDYDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-19-12-6-4-5-10(14(15)18)11(12)9-20-13-7-8-17(2)16-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride has a molecular weight of 294.74 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride is sourced from PubChem (CID 161470695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).