ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate

C21H18N4O2 — CID 138594895

IUPACethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc3ccccc23)n(-c2cccc(C)n2)n1
InChIInChI=1S/C21H18N4O2/c1-3-27-21(26)18-13-19(25(24-18)20-10-6-7-14(2)23-20)16-11-12-22-17-9-5-4-8-15(16)17/h4-13H,3H2,1-2H3
InChIKeyTUQMFEPUDMMELV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate

ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate (PubChem CID 138594895) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate
PubChem CID138594895
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Nameethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc3ccccc23)n(-c2cccc(C)n2)n1
InChIInChI=1S/C21H18N4O2/c1-3-27-21(26)18-13-19(25(24-18)20-10-6-7-14(2)23-20)16-11-12-22-17-9-5-4-8-15(16)17/h4-13H,3H2,1-2H3
InChIKeyTUQMFEPUDMMELV-UHFFFAOYSA-N
XLogP3.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-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 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate (CID 138594895) is ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccnc3ccccc23)n(-c2cccc(C)n2)n1.
What is the InChIKey of ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate?
The InChIKey is TUQMFEPUDMMELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-3-27-21(26)18-13-19(25(24-18)20-10-6-7-14(2)23-20)16-11-12-22-17-9-5-4-8-15(16)17/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate?
ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-2-pyridinyl)-5-quinolin-4-ylpyrazole-3-carboxylate is sourced from PubChem (CID 138594895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).