2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C14H19F3N6O — CID 131929750

IUPAC2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCc1c(C)nn(Cc2nc(CC(N)=O)nn2CC(F)(F)F)c1C
InChIInChI=1S/C14H19F3N6O/c1-4-10-8(2)20-22(9(10)3)6-13-19-12(5-11(18)24)21-23(13)7-14(15,16)17/h4-7H2,1-3H3,(H2,18,24)
InChIKeyJRVABPXMCZBEJH-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.29
Rot. Bonds6

About 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131929750) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131929750
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC Name2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCc1c(C)nn(Cc2nc(CC(N)=O)nn2CC(F)(F)F)c1C
InChIInChI=1S/C14H19F3N6O/c1-4-10-8(2)20-22(9(10)3)6-13-19-12(5-11(18)24)21-23(13)7-14(15,16)17/h4-7H2,1-3H3,(H2,18,24)
InChIKeyJRVABPXMCZBEJH-UHFFFAOYSA-N
XLogP1.29
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 131929750) is 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is CCc1c(C)nn(Cc2nc(CC(N)=O)nn2CC(F)(F)F)c1C.
What is the InChIKey of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is JRVABPXMCZBEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-4-10-8(2)20-22(9(10)3)6-13-19-12(5-11(18)24)21-23(13)7-14(15,16)17/h4-7H2,1-3H3,(H2,18,24).
What are the key properties of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131929750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).