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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 44542541
1-propan-2-yl-5-(trifluoromethyl)-N-[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 52833776
3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide
CID 94621379
1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78890303
1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
CID 94657175
1,3-dimethyl-N-[4-[2-(trifluoromethyl)phenyl]butan-2-yl]pyrazole-4-carboxamide
CID 123986868
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71879454
N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 52740320
1-methyl-N-[2-(propan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59559824
N-[2-(2-bromophenoxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 132576443
3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide
CID 56581375

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).