propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate

C16H18F2N2O4 — CID 159704171

IUPACpropyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
SMILESCCCOC(=O)c1cccc(OC(F)F)c1COc1ccn(C)n1
InChIInChI=1S/C16H18F2N2O4/c1-3-9-22-15(21)11-5-4-6-13(24-16(17)18)12(11)10-23-14-7-8-20(2)19-14/h4-8,16H,3,9-10H2,1-2H3
InChIKeyMXZPOFZJGRBPHL-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.17
Rot. Bonds8

About propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate

propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate (PubChem CID 159704171) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namepropyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
PubChem CID159704171
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Namepropyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
SMILESCCCOC(=O)c1cccc(OC(F)F)c1COc1ccn(C)n1
InChIInChI=1S/C16H18F2N2O4/c1-3-9-22-15(21)11-5-4-6-13(24-16(17)18)12(11)10-23-14-7-8-20(2)19-14/h4-8,16H,3,9-10H2,1-2H3
InChIKeyMXZPOFZJGRBPHL-UHFFFAOYSA-N
XLogP3.17
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoate
CID 161300654
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
propyl 3-(difluoromethylsulfanyl)-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoate
CID 155217904
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-en-2-ylbenzoate
CID 160994598
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 160566932
propyl 3-ethyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoate
CID 155217951
3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579877
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
propyl 3-(fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126579572
propyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-iodobenzoate
CID 126579275
propyl 3-ethenyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126576420
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209

Frequently Asked Questions

What is the IUPAC name of propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The IUPAC name of propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate (CID 159704171) is propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate.
What is the SMILES notation for propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The canonical SMILES for propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate is CCCOC(=O)c1cccc(OC(F)F)c1COc1ccn(C)n1.
What is the InChIKey of propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The InChIKey is MXZPOFZJGRBPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c1-3-9-22-15(21)11-5-4-6-13(24-16(17)18)12(11)10-23-14-7-8-20(2)19-14/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate has a molecular weight of 340.33 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate is sourced from PubChem (CID 159704171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).