methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate

C17H20FN3O3 — CID 71924319

IUPACmethyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1
InChIInChI=1S/C17H20FN3O3/c1-23-17(22)10-16-12-20(8-9-24-16)11-14-6-7-21(19-14)15-4-2-13(18)3-5-15/h2-7,16H,8-12H2,1H3
InChIKeyQCLSQOWYNPQSSV-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate

methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate (PubChem CID 71924319) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate
PubChem CID71924319
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Namemethyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1
InChIInChI=1S/C17H20FN3O3/c1-23-17(22)10-16-12-20(8-9-24-16)11-14-6-7-21(19-14)15-4-2-13(18)3-5-15/h2-7,16H,8-12H2,1H3
InChIKeyQCLSQOWYNPQSSV-UHFFFAOYSA-N
XLogP1.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate (CID 71924319) is methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1.
What is the InChIKey of methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate?
The InChIKey is QCLSQOWYNPQSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-17(22)10-16-12-20(8-9-24-16)11-14-6-7-21(19-14)15-4-2-13(18)3-5-15/h2-7,16H,8-12H2,1H3.
What are the key properties of methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate?
methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate has a molecular weight of 333.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 71924319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).