ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate

C15H16FN3O3 — CID 5303518

IUPACethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)Cc2ccccc2F)n1
InChIInChI=1S/C15H16FN3O3/c1-2-22-15(21)10-19-8-7-13(18-19)17-14(20)9-11-5-3-4-6-12(11)16/h3-8H,2,9-10H2,1H3,(H,17,18,20)
InChIKeyISXUQKZLUUVLCM-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.77
Rot. Bonds6

About ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate

ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate (PubChem CID 5303518) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate
PubChem CID5303518
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Nameethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)Cc2ccccc2F)n1
InChIInChI=1S/C15H16FN3O3/c1-2-22-15(21)10-19-8-7-13(18-19)17-14(20)9-11-5-3-4-6-12(11)16/h3-8H,2,9-10H2,1H3,(H,17,18,20)
InChIKeyISXUQKZLUUVLCM-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate (CID 5303518) is ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate is CCOC(=O)Cn1ccc(NC(=O)Cc2ccccc2F)n1.
What is the InChIKey of ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate?
The InChIKey is ISXUQKZLUUVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-22-15(21)10-19-8-7-13(18-19)17-14(20)9-11-5-3-4-6-12(11)16/h3-8H,2,9-10H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate?
ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate has a molecular weight of 305.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(2-fluorophenyl)acetyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 5303518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).