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

C16H18F3N3O2 — CID 19067683

IUPAC2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H18F3N3O2/c1-9(2)15(23)20-11-6-5-10(3)7-12(11)24-14-8-13(16(17,18)19)21-22(14)4/h5-9H,1-4H3,(H,20,23)
InChIKeyFKKNSHHXQOHGDU-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.13
Rot. Bonds4

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

2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide (PubChem CID 19067683) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide
PubChem CID19067683
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H18F3N3O2/c1-9(2)15(23)20-11-6-5-10(3)7-12(11)24-14-8-13(16(17,18)19)21-22(14)4/h5-9H,1-4H3,(H,20,23)
InChIKeyFKKNSHHXQOHGDU-UHFFFAOYSA-N
XLogP4.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide (CID 19067683) is 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide is Cc1ccc(NC(=O)C(C)C)c(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
The InChIKey is FKKNSHHXQOHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-9(2)15(23)20-11-6-5-10(3)7-12(11)24-14-8-13(16(17,18)19)21-22(14)4/h5-9H,1-4H3,(H,20,23).
What are the key properties of 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide?
2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide has a molecular weight of 341.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]propanamide is sourced from PubChem (CID 19067683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).