ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate

C17H15N3O2 — CID 5223324

IUPACethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccn1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-12-14(13-8-4-3-5-9-13)19-20(15)16-10-6-7-11-18-16/h3-12H,2H2,1H3
InChIKeyJYEAYIMUNMXZIB-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.11
Rot. Bonds4

About ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate

ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate (PubChem CID 5223324) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
PubChem CID5223324
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Nameethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccn1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-12-14(13-8-4-3-5-9-13)19-20(15)16-10-6-7-11-18-16/h3-12H,2H2,1H3
InChIKeyJYEAYIMUNMXZIB-UHFFFAOYSA-N
XLogP3.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate 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 ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate (CID 5223324) is ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccn1.
What is the InChIKey of ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate?
The InChIKey is JYEAYIMUNMXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-17(21)15-12-14(13-8-4-3-5-9-13)19-20(15)16-10-6-7-11-18-16/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate?
ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 5223324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).