N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C18H18F3N3O2 — CID 19534958

IUPACN-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C18H18F3N3O2/c1-10(17(26)22-14-7-5-12(6-8-14)11(2)25)24-15(13-3-4-13)9-16(23-24)18(19,20)21/h5-10,13H,3-4H2,1-2H3,(H,22,26)
InChIKeyUMYIHIWNOFGNOS-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.18
Rot. Bonds5

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

N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534958) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19534958
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C18H18F3N3O2/c1-10(17(26)22-14-7-5-12(6-8-14)11(2)25)24-15(13-3-4-13)9-16(23-24)18(19,20)21/h5-10,13H,3-4H2,1-2H3,(H,22,26)
InChIKeyUMYIHIWNOFGNOS-UHFFFAOYSA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
CID 19570636
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 19534954
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534991
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 19535137
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 19535215
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535034
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535075
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19535067
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19535194
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534958) is N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(=O)c1ccc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is UMYIHIWNOFGNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-10(17(26)22-14-7-5-12(6-8-14)11(2)25)24-15(13-3-4-13)9-16(23-24)18(19,20)21/h5-10,13H,3-4H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 365.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).