N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C20H19F3N4O2 — CID 78824297

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H19F3N4O2/c1-3-13(2)27-17(10-11-25-27)26-19(28)14-4-7-16(8-5-14)29-18-9-6-15(12-24-18)20(21,22)23/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyYZYSNEMTSWJRCG-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.31
Rot. Bonds6

About N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 78824297) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID78824297
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H19F3N4O2/c1-3-13(2)27-17(10-11-25-27)26-19(28)14-4-7-16(8-5-14)29-18-9-6-15(12-24-18)20(21,22)23/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyYZYSNEMTSWJRCG-UHFFFAOYSA-N
XLogP5.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 17499127
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(2-butan-2-ylpyrazol-3-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78778466
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 78824297) is N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CCC(C)n1nccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is YZYSNEMTSWJRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-3-13(2)27-17(10-11-25-27)26-19(28)14-4-7-16(8-5-14)29-18-9-6-15(12-24-18)20(21,22)23/h4-13H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 404.39 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 78824297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).