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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Related Compounds

1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24960132
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 3774757
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 16026477
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 146152656
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-3-methylbutanamide
CID 5164871
N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide
CID 40777764
2-[1-Methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine
CID 110095039
N-(4-ethoxyphenyl)-2-methyl-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 15943490
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 998479
N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide
CID 1486879
2-[3-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38112868

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).