N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

C24H25F3N4O4 — CID 166148075

IUPACN-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESCN(CCOc1cccc(C(F)(F)F)c1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C24H25F3N4O4/c1-30(11-13-35-21-9-5-6-18(14-21)24(25,26)27)23(33)17-31-16-19(15-28-31)29-22(32)10-12-34-20-7-3-2-4-8-20/h2-9,14-16H,10-13,17H2,1H3,(H,29,32)
InChIKeyZOABDWMBTJCTOE-UHFFFAOYSA-N
MW490.48 g/mol
LogP3.85
Rot. Bonds11

About N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (PubChem CID 166148075) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
PubChem CID166148075
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESCN(CCOc1cccc(C(F)(F)F)c1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C24H25F3N4O4/c1-30(11-13-35-21-9-5-6-18(14-21)24(25,26)27)23(33)17-31-16-19(15-28-31)29-22(32)10-12-34-20-7-3-2-4-8-20/h2-9,14-16H,10-13,17H2,1H3,(H,29,32)
InChIKeyZOABDWMBTJCTOE-UHFFFAOYSA-N
XLogP3.85
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (CID 166148075) is N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is CN(CCOc1cccc(C(F)(F)F)c1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1.
What is the InChIKey of N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The InChIKey is ZOABDWMBTJCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-30(11-13-35-21-9-5-6-18(14-21)24(25,26)27)23(33)17-31-16-19(15-28-31)29-22(32)10-12-34-20-7-3-2-4-8-20/h2-9,14-16H,10-13,17H2,1H3,(H,29,32).
What are the key properties of N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide has a molecular weight of 490.48 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 166148075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).