1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H19F3N4O2 — CID 47916331

IUPAC1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C15H19F3N4O2/c1-8-10(9(2)24-21-8)6-19-13(23)11-7-20-22(14(3,4)5)12(11)15(16,17)18/h7H,6H2,1-5H3,(H,19,23)
InChIKeyZWWDHTWJIADXER-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.19
Rot. Bonds3

About 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 47916331) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID47916331
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C15H19F3N4O2/c1-8-10(9(2)24-21-8)6-19-13(23)11-7-20-22(14(3,4)5)12(11)15(16,17)18/h7H,6H2,1-5H3,(H,19,23)
InChIKeyZWWDHTWJIADXER-UHFFFAOYSA-N
XLogP3.19
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 47916331) is 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1noc(C)c1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZWWDHTWJIADXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-8-10(9(2)24-21-8)6-19-13(23)11-7-20-22(14(3,4)5)12(11)15(16,17)18/h7H,6H2,1-5H3,(H,19,23).
What are the key properties of 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47916331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).