N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide

C25H28F3N5O2 — CID 55482520

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide
SMILESCCCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C25H28F3N5O2/c1-4-13-32(15-22(35)29-20-11-10-19(26)23(27)24(20)28)14-12-21(34)30-25-16(2)31-33(17(25)3)18-8-6-5-7-9-18/h5-11H,4,12-15H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyZNNWCQCTPWWAOZ-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.59
Rot. Bonds10

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide (PubChem CID 55482520) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide
PubChem CID55482520
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide
SMILESCCCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C25H28F3N5O2/c1-4-13-32(15-22(35)29-20-11-10-19(26)23(27)24(20)28)14-12-21(34)30-25-16(2)31-33(17(25)3)18-8-6-5-7-9-18/h5-11H,4,12-15H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyZNNWCQCTPWWAOZ-UHFFFAOYSA-N
XLogP4.59
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
CID 55755016
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111332644
2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566252
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
2-(4-chloro-2-fluoroanilino)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26508445
2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 120980373
methyl 3-[[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]-(2-methylpropyl)amino]propanoate
CID 56526219
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide (CID 55482520) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide is CCCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide?
The InChIKey is ZNNWCQCTPWWAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-4-13-32(15-22(35)29-20-11-10-19(26)23(27)24(20)28)14-12-21(34)30-25-16(2)31-33(17(25)3)18-8-6-5-7-9-18/h5-11H,4,12-15H2,1-3H3,(H,29,35)(H,30,34).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide has a molecular weight of 487.53 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide is sourced from PubChem (CID 55482520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).