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

C14H13ClN2O2 — CID 155217864

IUPAC3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
SMILESC=Cc1cccc(C(=O)Cl)c1COc1ccn(C)n1
InChIInChI=1S/C14H13ClN2O2/c1-3-10-5-4-6-11(14(15)18)12(10)9-19-13-7-8-17(2)16-13/h3-8H,1,9H2,2H3
InChIKeyJZAJTWQNBGSSEF-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.02
Rot. Bonds5

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

3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride (PubChem CID 155217864) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride.

Molecular Properties

Compound Name3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
PubChem CID155217864
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
SMILESC=Cc1cccc(C(=O)Cl)c1COc1ccn(C)n1
InChIInChI=1S/C14H13ClN2O2/c1-3-10-5-4-6-11(14(15)18)12(10)9-19-13-7-8-17(2)16-13/h3-8H,1,9H2,2H3
InChIKeyJZAJTWQNBGSSEF-UHFFFAOYSA-N
XLogP3.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzoyl chloride
CID 158512862
propyl 3-ethenyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126576420
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
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
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-ethylsulfanyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217968
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
3-(difluoromethyl)-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217944

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
The IUPAC name of 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride (CID 155217864) is 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride.
What is the SMILES notation for 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
The canonical SMILES for 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride is C=Cc1cccc(C(=O)Cl)c1COc1ccn(C)n1.
What is the InChIKey of 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
The InChIKey is JZAJTWQNBGSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-3-10-5-4-6-11(14(15)18)12(10)9-19-13-7-8-17(2)16-13/h3-8H,1,9H2,2H3.
What are the key properties of 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride?
3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride has a molecular weight of 276.72 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride is sourced from PubChem (CID 155217864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).