methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate

C15H16FN3O3 — CID 71863309

IUPACmethyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate
SMILESCOC(=O)CN(C(=O)C(C)n1cccn1)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-11(19-8-4-7-17-19)15(21)18(10-14(20)22-2)13-6-3-5-12(16)9-13/h3-9,11H,10H2,1-2H3
InChIKeyJBUFARQOWRJALI-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.79
Rot. Bonds5

About methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate

methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate (PubChem CID 71863309) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate
PubChem CID71863309
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Namemethyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate
SMILESCOC(=O)CN(C(=O)C(C)n1cccn1)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-11(19-8-4-7-17-19)15(21)18(10-14(20)22-2)13-6-3-5-12(16)9-13/h3-9,11H,10H2,1-2H3
InChIKeyJBUFARQOWRJALI-UHFFFAOYSA-N
XLogP1.79
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate?
The IUPAC name of methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate (CID 71863309) is methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate.
What is the SMILES notation for methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate?
The canonical SMILES for methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate is COC(=O)CN(C(=O)C(C)n1cccn1)c1cccc(F)c1.
What is the InChIKey of methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate?
The InChIKey is JBUFARQOWRJALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-11(19-8-4-7-17-19)15(21)18(10-14(20)22-2)13-6-3-5-12(16)9-13/h3-9,11H,10H2,1-2H3.
What are the key properties of methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate?
methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate has a molecular weight of 305.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate is sourced from PubChem (CID 71863309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).