2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide

C15H16F3N3O — CID 48542642

IUPAC2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N3O/c1-10(2)14(22)19-9-11-3-5-12(6-4-11)21-8-7-13(20-21)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,22)
InChIKeyMBYXNOLGYCLKNH-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.16
Rot. Bonds4

About 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide

2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide (PubChem CID 48542642) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide
PubChem CID48542642
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N3O/c1-10(2)14(22)19-9-11-3-5-12(6-4-11)21-8-7-13(20-21)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,22)
InChIKeyMBYXNOLGYCLKNH-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide (CID 48542642) is 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide is CC(C)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide?
The InChIKey is MBYXNOLGYCLKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10(2)14(22)19-9-11-3-5-12(6-4-11)21-8-7-13(20-21)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide?
2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide has a molecular weight of 311.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 48542642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).