N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C23H23F3N4O3 — CID 46885137

IUPACN-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NC(C)CNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C23H23F3N4O3/c1-3-33-18-11-9-16(10-12-18)21(31)28-15(2)13-27-22(32)19-14-30(17-7-5-4-6-8-17)29-20(19)23(24,25)26/h4-12,14-15H,3,13H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyQTHWFPCLJROSJA-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.84
Rot. Bonds8

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

N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46885137) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46885137
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NC(C)CNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C23H23F3N4O3/c1-3-33-18-11-9-16(10-12-18)21(31)28-15(2)13-27-22(32)19-14-30(17-7-5-4-6-8-17)29-20(19)23(24,25)26/h4-12,14-15H,3,13H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyQTHWFPCLJROSJA-UHFFFAOYSA-N
XLogP3.84
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 46885137) is N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1ccc(C(=O)NC(C)CNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QTHWFPCLJROSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-3-33-18-11-9-16(10-12-18)21(31)28-15(2)13-27-22(32)19-14-30(17-7-5-4-6-8-17)29-20(19)23(24,25)26/h4-12,14-15H,3,13H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxybenzoyl)amino]propyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46885137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).