3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

C15H16F3N3O — CID 167936191

IUPAC3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O/c1-9-13(10(2)21-20-9)14(22)19-8-7-11-3-5-12(6-4-11)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXTPYNACSOVUBQF-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.02
Rot. Bonds4

About 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 167936191) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID167936191
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O/c1-9-13(10(2)21-20-9)14(22)19-8-7-11-3-5-12(6-4-11)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXTPYNACSOVUBQF-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
CID 56812407
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 46975020
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374
4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 17442920
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide (CID 167936191) is 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XTPYNACSOVUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9-13(10(2)21-20-9)14(22)19-8-7-11-3-5-12(6-4-11)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).