N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H22F4N4O — CID 112813848

IUPACN-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H22F4N4O/c1-2-29(16-9-4-3-5-10-16)14-8-13-27-21(31)17-15-28-30(20(17)22(24,25)26)19-12-7-6-11-18(19)23/h3-7,9-12,15H,2,8,13-14H2,1H3,(H,27,31)
InChIKeyFYGVUVRBZJHUMM-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.68
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112813848) has the molecular formula C22H22F4N4O and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112813848
Molecular FormulaC22H22F4N4O
Molecular Weight434.44 g/mol
Exact Mass434.17
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H22F4N4O/c1-2-29(16-9-4-3-5-10-16)14-8-13-27-21(31)17-15-28-30(20(17)22(24,25)26)19-12-7-6-11-18(19)23/h3-7,9-12,15H,2,8,13-14H2,1H3,(H,27,31)
InChIKeyFYGVUVRBZJHUMM-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide 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

1-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813879
1-(2-fluorophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822501
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
N-[6-(diethylamino)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112833718
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827081
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122133694
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
1-(4-chlorophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91357633
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427330
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426
N-[3-[benzyl(methyl)amino]propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46549460
1-(6-chloro-2-pyridinyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91584626

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112813848) is N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CCCNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FYGVUVRBZJHUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O/c1-2-29(16-9-4-3-5-10-16)14-8-13-27-21(31)17-15-28-30(20(17)22(24,25)26)19-12-7-6-11-18(19)23/h3-7,9-12,15H,2,8,13-14H2,1H3,(H,27,31).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112813848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).