2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate

C20H21N3O3 — CID 2363277

IUPAC2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate
SMILESCc1cc(Nc2ccccc2)n(CCOC(=O)COc2ccccc2)n1
InChIInChI=1S/C20H21N3O3/c1-16-14-19(21-17-8-4-2-5-9-17)23(22-16)12-13-25-20(24)15-26-18-10-6-3-7-11-18/h2-11,14,21H,12-13,15H2,1H3
InChIKeyCSMKFXRAGONZOF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.56
Rot. Bonds8

About 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate

2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate (PubChem CID 2363277) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate.

Molecular Properties

Compound Name2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate
PubChem CID2363277
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate
SMILESCc1cc(Nc2ccccc2)n(CCOC(=O)COc2ccccc2)n1
InChIInChI=1S/C20H21N3O3/c1-16-14-19(21-17-8-4-2-5-9-17)23(22-16)12-13-25-20(24)15-26-18-10-6-3-7-11-18/h2-11,14,21H,12-13,15H2,1H3
InChIKeyCSMKFXRAGONZOF-UHFFFAOYSA-N
XLogP3.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate 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 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate?
The IUPAC name of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate (CID 2363277) is 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate.
What is the SMILES notation for 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate?
The canonical SMILES for 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate is Cc1cc(Nc2ccccc2)n(CCOC(=O)COc2ccccc2)n1.
What is the InChIKey of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate?
The InChIKey is CSMKFXRAGONZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-16-14-19(21-17-8-4-2-5-9-17)23(22-16)12-13-25-20(24)15-26-18-10-6-3-7-11-18/h2-11,14,21H,12-13,15H2,1H3.
What are the key properties of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate?
2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate has a molecular weight of 351.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate is sourced from PubChem (CID 2363277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).