3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide

C12H15F3N6O3 — CID 71793271

IUPAC3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C12H15F3N6O3/c1-19-6-7(9(17-19)24-3)8(22)16-4-5-21-11(23)20(2)10(18-21)12(13,14)15/h6H,4-5H2,1-3H3,(H,16,22)
InChIKeyIDFOYTJOZIBLMU-UHFFFAOYSA-N
MW348.29 g/mol
LogP-0.23
Rot. Bonds5

About 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 71793271) has the molecular formula C12H15F3N6O3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide
PubChem CID71793271
Molecular FormulaC12H15F3N6O3
Molecular Weight348.29 g/mol
Exact Mass348.12
IUPAC Name3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C12H15F3N6O3/c1-19-6-7(9(17-19)24-3)8(22)16-4-5-21-11(23)20(2)10(18-21)12(13,14)15/h6H,4-5H2,1-3H3,(H,16,22)
InChIKeyIDFOYTJOZIBLMU-UHFFFAOYSA-N
XLogP-0.23
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide (CID 71793271) is 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is IDFOYTJOZIBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6O3/c1-19-6-7(9(17-19)24-3)8(22)16-4-5-21-11(23)20(2)10(18-21)12(13,14)15/h6H,4-5H2,1-3H3,(H,16,22).
What are the key properties of 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 348.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71793271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).