N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide

C19H23F3N4O2 — CID 121078899

IUPACN-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1nc(-c2cccc(C(F)(F)F)c2)n(C2CC2)c1=O
InChIInChI=1S/C19H23F3N4O2/c1-18(2,3)16(27)23-9-10-25-17(28)26(14-7-8-14)15(24-25)12-5-4-6-13(11-12)19(20,21)22/h4-6,11,14H,7-10H2,1-3H3,(H,23,27)
InChIKeyMZFYNIJDYOUOLI-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.23
Rot. Bonds5

About N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 121078899) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID121078899
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1nc(-c2cccc(C(F)(F)F)c2)n(C2CC2)c1=O
InChIInChI=1S/C19H23F3N4O2/c1-18(2,3)16(27)23-9-10-25-17(28)26(14-7-8-14)15(24-25)12-5-4-6-13(11-12)19(20,21)22/h4-6,11,14H,7-10H2,1-3H3,(H,23,27)
InChIKeyMZFYNIJDYOUOLI-UHFFFAOYSA-N
XLogP3.23
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-3,3-dimethylbutanamide
CID 121078875
1-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-3-(4-methylphenyl)urea
CID 121078218
1-benzhydryl-3-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]urea
CID 121078204
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078873
1-(2-chlorophenyl)-3-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]urea
CID 121078224
1-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121078280
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121116463
N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]propanamide
CID 121078806
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 90541702
2-(4-chlorophenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078786
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078838
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea
CID 121078011

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide (CID 121078899) is N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCn1nc(-c2cccc(C(F)(F)F)c2)n(C2CC2)c1=O.
What is the InChIKey of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is MZFYNIJDYOUOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-18(2,3)16(27)23-9-10-25-17(28)26(14-7-8-14)15(24-25)12-5-4-6-13(11-12)19(20,21)22/h4-6,11,14H,7-10H2,1-3H3,(H,23,27).
What are the key properties of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 396.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121078899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).