N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide

C15H16F3N3O2 — CID 19067677

IUPACN-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H16F3N3O2/c1-4-13(22)19-10-6-5-9(2)7-11(10)23-14-8-12(15(16,17)18)20-21(14)3/h5-8H,4H2,1-3H3,(H,19,22)
InChIKeyLYBBRWNMZAUHEK-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.89
Rot. Bonds4

About N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide

N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide (PubChem CID 19067677) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide
PubChem CID19067677
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H16F3N3O2/c1-4-13(22)19-10-6-5-9(2)7-11(10)23-14-8-12(15(16,17)18)20-21(14)3/h5-8H,4H2,1-3H3,(H,19,22)
InChIKeyLYBBRWNMZAUHEK-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
The IUPAC name of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide (CID 19067677) is N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide.
What is the SMILES notation for N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
The canonical SMILES for N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide is CCC(=O)Nc1ccc(C)cc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
The InChIKey is LYBBRWNMZAUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-4-13(22)19-10-6-5-9(2)7-11(10)23-14-8-12(15(16,17)18)20-21(14)3/h5-8H,4H2,1-3H3,(H,19,22).
What are the key properties of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide has a molecular weight of 327.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide is sourced from PubChem (CID 19067677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).