4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide

C23H19F3N4O3 — CID 55610959

IUPAC4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(-n3cccn3)cc1C(F)(F)F)C2=O
InChIInChI=1S/C23H19F3N4O3/c1-14-5-7-16-17(12-14)22(33)29(21(16)32)10-2-4-20(31)28-19-8-6-15(30-11-3-9-27-30)13-18(19)23(24,25)26/h3,5-9,11-13H,2,4,10H2,1H3,(H,28,31)
InChIKeyYXUSNRDJJKKVHV-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.21
Rot. Bonds6

About 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide

4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide (PubChem CID 55610959) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
PubChem CID55610959
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(-n3cccn3)cc1C(F)(F)F)C2=O
InChIInChI=1S/C23H19F3N4O3/c1-14-5-7-16-17(12-14)22(33)29(21(16)32)10-2-4-20(31)28-19-8-6-15(30-11-3-9-27-30)13-18(19)23(24,25)26/h3,5-9,11-13H,2,4,10H2,1H3,(H,28,31)
InChIKeyYXUSNRDJJKKVHV-UHFFFAOYSA-N
XLogP4.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062392
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
2-methyl-N-[3-oxo-3-[4-pyrazol-1-yl-2-(trifluoromethyl)anilino]propyl]benzamide
CID 55610762
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide
CID 46473246
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 30442229

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide (CID 55610959) is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(-n3cccn3)cc1C(F)(F)F)C2=O.
What is the InChIKey of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is YXUSNRDJJKKVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-14-5-7-16-17(12-14)22(33)29(21(16)32)10-2-4-20(31)28-19-8-6-15(30-11-3-9-27-30)13-18(19)23(24,25)26/h3,5-9,11-13H,2,4,10H2,1H3,(H,28,31).
What are the key properties of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 456.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 55610959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).