ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate

C16H18FN3O4 — CID 6458205

IUPACethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(NC(=O)COc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FN3O4/c1-3-23-16(22)9-20-11(2)8-14(19-20)18-15(21)10-24-13-6-4-12(17)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyRKOSRFBTSNFWTH-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.91
Rot. Bonds7

About ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate

ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate (PubChem CID 6458205) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate
PubChem CID6458205
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Nameethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(NC(=O)COc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FN3O4/c1-3-23-16(22)9-20-11(2)8-14(19-20)18-15(21)10-24-13-6-4-12(17)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyRKOSRFBTSNFWTH-UHFFFAOYSA-N
XLogP1.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate (CID 6458205) is ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(NC(=O)COc2ccc(F)cc2)cc1C.
What is the InChIKey of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate?
The InChIKey is RKOSRFBTSNFWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-3-23-16(22)9-20-11(2)8-14(19-20)18-15(21)10-24-13-6-4-12(17)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate?
ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate has a molecular weight of 335.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]acetate is sourced from PubChem (CID 6458205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).