ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

C15H14N4O2S — CID 46889131

IUPACethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C)[nH]n1
InChIInChI=1S/C15H14N4O2S/c1-3-21-15(20)12-7-11(18-19-12)13-9(2)17-14(22-13)10-5-4-6-16-8-10/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyRJBUQAOWZLSGRF-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.08
Rot. Bonds4

About ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (PubChem CID 46889131) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
PubChem CID46889131
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Nameethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C)[nH]n1
InChIInChI=1S/C15H14N4O2S/c1-3-21-15(20)12-7-11(18-19-12)13-9(2)17-14(22-13)10-5-4-6-16-8-10/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyRJBUQAOWZLSGRF-UHFFFAOYSA-N
XLogP3.08
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-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 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (CID 46889131) is ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C)[nH]n1.
What is the InChIKey of ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The InChIKey is RJBUQAOWZLSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-3-21-15(20)12-7-11(18-19-12)13-9(2)17-14(22-13)10-5-4-6-16-8-10/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 46889131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).