2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C15H17F3N4O — CID 75497567

IUPAC2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(-n2nc(NCC(=O)NCC(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H17F3N4O/c1-10-3-5-12(6-4-10)22-11(2)7-13(21-22)19-8-14(23)20-9-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeySEUKWRRUPRNVBL-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.58
Rot. Bonds5

About 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75497567) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75497567
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(-n2nc(NCC(=O)NCC(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H17F3N4O/c1-10-3-5-12(6-4-10)22-11(2)7-13(21-22)19-8-14(23)20-9-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeySEUKWRRUPRNVBL-UHFFFAOYSA-N
XLogP2.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114253532
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114094335
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33125830
1-(4-fluorophenyl)-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 60544842
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55811805
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75497567) is 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(-n2nc(NCC(=O)NCC(F)(F)F)cc2C)cc1.
What is the InChIKey of 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SEUKWRRUPRNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10-3-5-12(6-4-10)22-11(2)7-13(21-22)19-8-14(23)20-9-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 326.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75497567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).