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

C18H22F3N3O — CID 19566440

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C)c1ccccc1
InChIInChI=1S/C18H22F3N3O/c1-4-15(14-8-6-5-7-9-14)22-17(25)12(2)11-24-13(3)10-16(23-24)18(19,20)21/h5-10,12,15H,4,11H2,1-3H3,(H,22,25)
InChIKeyRSSMNMMHLQGMBF-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.11
Rot. Bonds6

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

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide (PubChem CID 19566440) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
PubChem CID19566440
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C)c1ccccc1
InChIInChI=1S/C18H22F3N3O/c1-4-15(14-8-6-5-7-9-14)22-17(25)12(2)11-24-13(3)10-16(23-24)18(19,20)21/h5-10,12,15H,4,11H2,1-3H3,(H,22,25)
InChIKeyRSSMNMMHLQGMBF-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566347
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(1-phenylethyl)propanamide
CID 19570652
N-(3,4-dichlorophenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566376
(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35528656
2-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566540
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566415
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51391479
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566431
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4868032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide (CID 19566440) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C)c1ccccc1.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide?
The InChIKey is RSSMNMMHLQGMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-4-15(14-8-6-5-7-9-14)22-17(25)12(2)11-24-13(3)10-16(23-24)18(19,20)21/h5-10,12,15H,4,11H2,1-3H3,(H,22,25).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide has a molecular weight of 353.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 19566440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).