2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine

C15H18F3N3O — CID 58504351

IUPAC2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine
SMILESCCOc1ccc(-n2ncc(C(C)(C)C)c2C(F)(F)F)nc1
InChIInChI=1S/C15H18F3N3O/c1-5-22-10-6-7-12(19-8-10)21-13(15(16,17)18)11(9-20-21)14(2,3)4/h6-9H,5H2,1-4H3
InChIKeySRHMLYULTQUXBC-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.98
Rot. Bonds3

About 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine

2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine (PubChem CID 58504351) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine.

Molecular Properties

Compound Name2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine
PubChem CID58504351
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine
SMILESCCOc1ccc(-n2ncc(C(C)(C)C)c2C(F)(F)F)nc1
InChIInChI=1S/C15H18F3N3O/c1-5-22-10-6-7-12(19-8-10)21-13(15(16,17)18)11(9-20-21)14(2,3)4/h6-9H,5H2,1-4H3
InChIKeySRHMLYULTQUXBC-UHFFFAOYSA-N
XLogP3.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine?
The IUPAC name of 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine (CID 58504351) is 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine.
What is the SMILES notation for 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine?
The canonical SMILES for 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine is CCOc1ccc(-n2ncc(C(C)(C)C)c2C(F)(F)F)nc1.
What is the InChIKey of 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine?
The InChIKey is SRHMLYULTQUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-5-22-10-6-7-12(19-8-10)21-13(15(16,17)18)11(9-20-21)14(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine?
2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine has a molecular weight of 313.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine is sourced from PubChem (CID 58504351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).