1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide

C16H15F6N3O2 — CID 86832975

IUPAC1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
SMILESCC(COc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H15F6N3O2/c1-9(8-27-12-6-4-3-5-11(12)15(17,18)19)23-14(26)10-7-25(2)24-13(10)16(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyCSAIJNNEJGDBFH-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.65
Rot. Bonds5

About 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide

1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide (PubChem CID 86832975) has the molecular formula C16H15F6N3O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
PubChem CID86832975
Molecular FormulaC16H15F6N3O2
Molecular Weight395.30 g/mol
Exact Mass395.11
IUPAC Name1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
SMILESCC(COc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H15F6N3O2/c1-9(8-27-12-6-4-3-5-11(12)15(17,18)19)23-14(26)10-7-25(2)24-13(10)16(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyCSAIJNNEJGDBFH-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide (CID 86832975) is 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide is CC(COc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is CSAIJNNEJGDBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O2/c1-9(8-27-12-6-4-3-5-11(12)15(17,18)19)23-14(26)10-7-25(2)24-13(10)16(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26).
What are the key properties of 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide?
1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 86832975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).