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

C15H16FN3O4 — CID 5303475

IUPACethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O4/c1-2-22-15(21)9-19-8-7-13(18-19)17-14(20)10-23-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18,20)
InChIKeyYJDKTUGCLYBQOF-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.60
Rot. Bonds7

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

ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate (PubChem CID 5303475) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate
PubChem CID5303475
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Nameethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O4/c1-2-22-15(21)9-19-8-7-13(18-19)17-14(20)10-23-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18,20)
InChIKeyYJDKTUGCLYBQOF-UHFFFAOYSA-N
XLogP1.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[1-(methoxyacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24817725
ethyl (3-{[(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
CID 5303476
N-(1-methylpyrazol-3-yl)-4-phenoxy-butanamide
CID 31845722
methyl 4-(3-{[(4-fluorophenoxy)acetyl]amino}-5-methyl-1H-pyrazol-1-yl)butanoate
CID 5303480
ethyl (3-{[(4-fluorophenoxy)acetyl]amino}-5-methyl-1H-pyrazol-1-yl)acetate
CID 6458205
N-(1-methyl-1H-pyrazol-3-yl)-2-(2-methylphenoxy)acetamide
CID 19405140
N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide
CID 51098792
N-(1-benzyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 6457563
N-(1-ethyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 16452438
N-[1-(butan-2-yl)-1H-pyrazol-5-yl]-2-phenoxyacetamide
CID 16452815
N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-2-phenoxyacetamide
CID 42110604
2-phenoxy-N-(1-phenyl-1H-pyrazol-3-yl)acetamide
CID 46106997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate (CID 5303475) is ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate is CCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
The InChIKey is YJDKTUGCLYBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-2-22-15(21)9-19-8-7-13(18-19)17-14(20)10-23-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
ethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate has a molecular weight of 321.31 g/mol, XLogP of 1.60, 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]pyrazol-1-yl]acetate is sourced from PubChem (CID 5303475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).