2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C24H26F3N5O2 — CID 24566252

IUPAC2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H26F3N5O2/c1-3-11-31(15-21(33)29-20-10-9-19(25)23(26)24(20)27)16-22(34)30(2)13-17-12-28-32(14-17)18-7-5-4-6-8-18/h4-10,12,14H,3,11,13,15-16H2,1-2H3,(H,29,33)
InChIKeyPOJMTEMOKHPZAF-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.60
Rot. Bonds10

About 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 24566252) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID24566252
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H26F3N5O2/c1-3-11-31(15-21(33)29-20-10-9-19(25)23(26)24(20)27)16-22(34)30(2)13-17-12-28-32(14-17)18-7-5-4-6-8-18/h4-10,12,14H,3,11,13,15-16H2,1-2H3,(H,29,33)
InChIKeyPOJMTEMOKHPZAF-UHFFFAOYSA-N
XLogP3.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 27773162
2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 17419291
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]propanamide
CID 55482520
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 24566252) is 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is POJMTEMOKHPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-3-11-31(15-21(33)29-20-10-9-19(25)23(26)24(20)27)16-22(34)30(2)13-17-12-28-32(14-17)18-7-5-4-6-8-18/h4-10,12,14H,3,11,13,15-16H2,1-2H3,(H,29,33).
What are the key properties of 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 473.50 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 24566252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).