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

C14H14F3N3O — CID 22953741

IUPAC2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O/c1-9(2)13(21)18-10-3-5-11(6-4-10)20-8-7-12(19-20)14(15,16)17/h3-9H,1-2H3,(H,18,21)
InChIKeyGVAPFIZSFNTROH-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.49
Rot. Bonds3

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

2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide (PubChem CID 22953741) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
PubChem CID22953741
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O/c1-9(2)13(21)18-10-3-5-11(6-4-10)20-8-7-12(19-20)14(15,16)17/h3-9H,1-2H3,(H,18,21)
InChIKeyGVAPFIZSFNTROH-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.49
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]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide (CID 22953741) is 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The InChIKey is GVAPFIZSFNTROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9(2)13(21)18-10-3-5-11(6-4-10)20-8-7-12(19-20)14(15,16)17/h3-9H,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
2-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide has a molecular weight of 297.28 g/mol, XLogP of 3.49, 3 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]propanamide is sourced from PubChem (CID 22953741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).