2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine

C48H50F6N8O4 — CID 158577280

IUPAC2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine
SMILESCC(C)N.Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1N1C(=O)c2ccccc2C1=O.Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1NC(=O)c1ccccc1C(=O)NC(C)C
InChIInChI=1S/C24H25F3N4O2.C21H16F3N3O2.C3H9N/c1-14(2)28-22(32)18-7-5-6-8-19(18)23(33)29-20-10-9-17(11-15(20)3)13-31-16(4)12-21(30-31)24(25,26)27;1-12-9-14(11-26-13(2)10-18(25-26)21(22,23)24)7-8-17(12)27-19(28)15-5-3-4-6-16(15)20(27)29;1-3(2)4/h5-12,14H,13H2,1-4H3,(H,28,32)(H,29,33);3-10H,11H2,1-2H3;3H,4H2,1-2H3
InChIKeyHSUVTGSZHGFLTM-UHFFFAOYSA-N
MW916.97 g/mol
LogP9.68
Rot. Bonds9

About 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine

2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine (PubChem CID 158577280) has the molecular formula C48H50F6N8O4 and a molecular weight of 916.97 g/mol. Its IUPAC name is 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine.

Molecular Properties

Compound Name2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine
PubChem CID158577280
Molecular FormulaC48H50F6N8O4
Molecular Weight916.97 g/mol
Exact Mass916.39
IUPAC Name2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine
SMILESCC(C)N.Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1N1C(=O)c2ccccc2C1=O.Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1NC(=O)c1ccccc1C(=O)NC(C)C
InChIInChI=1S/C24H25F3N4O2.C21H16F3N3O2.C3H9N/c1-14(2)28-22(32)18-7-5-6-8-19(18)23(33)29-20-10-9-17(11-15(20)3)13-31-16(4)12-21(30-31)24(25,26)27;1-12-9-14(11-26-13(2)10-18(25-26)21(22,23)24)7-8-17(12)27-19(28)15-5-3-4-6-16(15)20(27)29;1-3(2)4/h5-12,14H,13H2,1-4H3,(H,28,32)(H,29,33);3-10H,11H2,1-2H3;3H,4H2,1-2H3
InChIKeyHSUVTGSZHGFLTM-UHFFFAOYSA-N
XLogP9.68
TPSA157.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.97
LogP ≤ 59.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine with MolForge

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Related Compounds

N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9933906
US10807952, Cmp No. 91
CID 135221701
US9796741, cmp No. 48
CID 118323683
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50825956
N-[1-(4-fluorobenzyl)-5-oxopyrrolidin-3-yl]-1,5-dimethyl-1H-indazole-3-carboxamide
CID 56907770
1-N-[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 44634175
1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 58370441
2-[2-Methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione
CID 58370486
1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 58370535
4-Fluoro-2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione
CID 58370554
2-[3-[3-(1,3-Dioxoisoindol-2-yl)-5-(trifluoromethyl)indazol-1-yl]propyl]isoindole-1,3-dione
CID 58990886
2-(4-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylphenyl)-4-fluoro-1H-isoindole-1,3(2H)-dione
CID 59210385

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine?
The IUPAC name of 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine (CID 158577280) is 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine.
What is the SMILES notation for 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine?
The canonical SMILES for 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine is CC(C)N.Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1N1C(=O)c2ccccc2C1=O.Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1NC(=O)c1ccccc1C(=O)NC(C)C.
What is the InChIKey of 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine?
The InChIKey is HSUVTGSZHGFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2.C21H16F3N3O2.C3H9N/c1-14(2)28-22(32)18-7-5-6-8-19(18)23(33)29-20-10-9-17(11-15(20)3)13-31-16(4)12-21(30-31)24(25,26)27;1-12-9-14(11-26-13(2)10-18(25-26)21(22,23)24)7-8-17(12)27-19(28)15-5-3-4-6-16(15)20(27)29;1-3(2)4/h5-12,14H,13H2,1-4H3,(H,28,32)(H,29,33);3-10H,11H2,1-2H3;3H,4H2,1-2H3.
What are the key properties of 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine?
2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine has a molecular weight of 916.97 g/mol, XLogP of 9.68, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]isoindole-1,3-dione;1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide;propan-2-amine is sourced from PubChem (CID 158577280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).