oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate

C17H18F2N2O4 — CID 167065109

IUPACoxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCn1nc(OCC(=O)OCC2CCOC2)cc1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O4/c1-21-15(13-3-2-12(18)6-14(13)19)7-16(20-21)24-10-17(22)25-9-11-4-5-23-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyCRFJYYGYOJBVPV-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.32
Rot. Bonds6

About oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate

oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 167065109) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID167065109
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Nameoxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCn1nc(OCC(=O)OCC2CCOC2)cc1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O4/c1-21-15(13-3-2-12(18)6-14(13)19)7-16(20-21)24-10-17(22)25-9-11-4-5-23-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyCRFJYYGYOJBVPV-UHFFFAOYSA-N
XLogP2.32
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11576897, Example 495
CID 68029495
US10183913, Example 347
CID 123138852
2-(1,5-Diphenylpyrazol-3-yl)oxyacetic acid
CID 70584812
5-(Difluoromethoxy)-3-(2-fluorophenyl)-1-methylpyrazole
CID 17901718
[2-[1-(3,4-Difluorophenyl)ethyl]-5-methylpyrazol-3-yl] 3-methylbutanoate
CID 21314243
[2-[1-(4-Fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate
CID 21314259
[2-[1-(4-Fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 2,2,2-trifluoroacetate
CID 21314265
[2-[(3,4-Difluorophenyl)methyl]-5-methylpyrazol-3-yl] 3-methylbutanoate
CID 22769156
[2-[(4-Fluorophenyl)methyl]-5-methylpyrazol-3-yl] acetate
CID 22769220
[2-[(2-Fluorophenyl)methyl]-5-methylpyrazol-3-yl] 2,2,2-trifluoroacetate
CID 22769227
3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
CID 22902341
3-[3-(N-benzyl-N-methylamino)-propyloxy]-2-methyl-5-(2-fluorophenyl)-pyrazole
CID 22902389

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate (CID 167065109) is oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate is Cn1nc(OCC(=O)OCC2CCOC2)cc1-c1ccc(F)cc1F.
What is the InChIKey of oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is CRFJYYGYOJBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c1-21-15(13-3-2-12(18)6-14(13)19)7-16(20-21)24-10-17(22)25-9-11-4-5-23-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 352.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 167065109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).