N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide

C15H15F4N3O — CID 166385837

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H15F4N3O/c1-22-11(6-7-21-22)3-5-14(23)20-9-10-2-4-12(13(16)8-10)15(17,18)19/h2,4,6-8H,3,5,9H2,1H3,(H,20,23)
InChIKeyXTLLBLKSWZDVQR-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.83
Rot. Bonds5

About N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 166385837) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID166385837
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H15F4N3O/c1-22-11(6-7-21-22)3-5-14(23)20-9-10-2-4-12(13(16)8-10)15(17,18)19/h2,4,6-8H,3,5,9H2,1H3,(H,20,23)
InChIKeyXTLLBLKSWZDVQR-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166304475
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 86979097
N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77096473
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118782597
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)aniline
CID 103000614
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 63303724
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 166385837) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NCc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is XTLLBLKSWZDVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c1-22-11(6-7-21-22)3-5-14(23)20-9-10-2-4-12(13(16)8-10)15(17,18)19/h2,4,6-8H,3,5,9H2,1H3,(H,20,23).
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 329.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 166385837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).