N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C24H25F3N4O4 — CID 46884919

IUPACN-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccc(OCC)cc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C24H25F3N4O4/c1-3-34-18-9-5-16(6-10-18)22(32)28-13-14-29-23(33)20-15-31(30-21(20)24(25,26)27)17-7-11-19(12-8-17)35-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUVUUSQBAQOGVDC-UHFFFAOYSA-N
MW490.48 g/mol
LogP3.85
Rot. Bonds10

About N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46884919) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46884919
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccc(OCC)cc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C24H25F3N4O4/c1-3-34-18-9-5-16(6-10-18)22(32)28-13-14-29-23(33)20-15-31(30-21(20)24(25,26)27)17-7-11-19(12-8-17)35-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUVUUSQBAQOGVDC-UHFFFAOYSA-N
XLogP3.85
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 46884919) is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccc(OCC)cc3)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UVUUSQBAQOGVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-3-34-18-9-5-16(6-10-18)22(32)28-13-14-29-23(33)20-15-31(30-21(20)24(25,26)27)17-7-11-19(12-8-17)35-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 490.48 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46884919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).