ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate

C17H15N3O2 — CID 31018317

IUPACethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)14-7-4-9-18-16(14)13-6-3-5-12(11-13)15-8-10-19-20-15/h3-11H,2H2,1H3,(H,19,20)
InChIKeyWXDXIDXWQAYIAA-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate

ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate (PubChem CID 31018317) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate
PubChem CID31018317
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)14-7-4-9-18-16(14)13-6-3-5-12(11-13)15-8-10-19-20-15/h3-11H,2H2,1H3,(H,19,20)
InChIKeyWXDXIDXWQAYIAA-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-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 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate (CID 31018317) is ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate?
The InChIKey is WXDXIDXWQAYIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-17(21)14-7-4-9-18-16(14)13-6-3-5-12(11-13)15-8-10-19-20-15/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate?
ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 31018317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).