ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

C11H10F3N3O2S — CID 1472850

IUPACethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O2S/c1-3-19-9(18)7-5-20-10(15-7)17-8(11(12,13)14)4-6(2)16-17/h4-5H,3H2,1-2H3
InChIKeyOPRXTZLQAZZRCP-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 1472850) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID1472850
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Nameethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O2S/c1-3-19-9(18)7-5-20-10(15-7)17-8(11(12,13)14)4-6(2)16-17/h4-5H,3H2,1-2H3
InChIKeyOPRXTZLQAZZRCP-UHFFFAOYSA-N
XLogP2.83
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (CID 1472850) is ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is OPRXTZLQAZZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-3-19-9(18)7-5-20-10(15-7)17-8(11(12,13)14)4-6(2)16-17/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 305.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1472850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).