2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide

C15H16F3N3O — CID 175834547

IUPAC2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(F)(F)F)cc1-c1cnn(C)c1
InChIInChI=1S/C15H16F3N3O/c1-9(2)14(22)20-13-5-4-11(15(16,17)18)6-12(13)10-7-19-21(3)8-10/h4-9H,1-3H3,(H,20,22)
InChIKeySBOVGRYFUMXXJG-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide

2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 175834547) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide
PubChem CID175834547
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(F)(F)F)cc1-c1cnn(C)c1
InChIInChI=1S/C15H16F3N3O/c1-9(2)14(22)20-13-5-4-11(15(16,17)18)6-12(13)10-7-19-21(3)8-10/h4-9H,1-3H3,(H,20,22)
InChIKeySBOVGRYFUMXXJG-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide (CID 175834547) is 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(C(F)(F)F)cc1-c1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SBOVGRYFUMXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9(2)14(22)20-13-5-4-11(15(16,17)18)6-12(13)10-7-19-21(3)8-10/h4-9H,1-3H3,(H,20,22).
What are the key properties of 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 311.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 175834547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).