N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H18F3N3O3 — CID 44542541

IUPACN-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(OCC(C)NC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3/c1-10(9-26-13-6-4-12(5-7-13)11(2)24)21-16(25)14-8-23(3)22-15(14)17(18,19)20/h4-8,10H,9H2,1-3H3,(H,21,25)
InChIKeyAOKZOVOSMMSMIT-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 44542541) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID44542541
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(OCC(C)NC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3/c1-10(9-26-13-6-4-12(5-7-13)11(2)24)21-16(25)14-8-23(3)22-15(14)17(18,19)20/h4-8,10H,9H2,1-3H3,(H,21,25)
InChIKeyAOKZOVOSMMSMIT-UHFFFAOYSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 86832975
1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78890303
N-[2-(4-tert-butylphenoxy)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020315
N-[(E)-3-(4-chlorophenyl)but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 23661198
N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 123680885
N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 21084524
N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 78901856
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 124582230
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 44542541) is N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(=O)c1ccc(OCC(C)NC(=O)c2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AOKZOVOSMMSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-10(9-26-13-6-4-12(5-7-13)11(2)24)21-16(25)14-8-23(3)22-15(14)17(18,19)20/h4-8,10H,9H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 44542541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).