N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide

C16H19F4N3O — CID 166491393

IUPACN-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide
SMILESC=C/C(CCNC(C)=O)=C(\C(=C)F)c1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C16H19F4N3O/c1-5-12(7-8-21-11(4)24)14(10(3)17)13-9-23(6-2)22-15(13)16(18,19)20/h5,9H,1,3,6-8H2,2,4H3,(H,21,24)/b14-12-
InChIKeyFDDXWFJRZGMJCT-OWBHPGMISA-N
MW345.34 g/mol
LogP3.87
Rot. Bonds7

About N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide

N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide (PubChem CID 166491393) has the molecular formula C16H19F4N3O and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide
PubChem CID166491393
Molecular FormulaC16H19F4N3O
Molecular Weight345.34 g/mol
Exact Mass345.15
IUPAC NameN-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide
SMILESC=C/C(CCNC(C)=O)=C(\C(=C)F)c1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C16H19F4N3O/c1-5-12(7-8-21-11(4)24)14(10(3)17)13-9-23(6-2)22-15(13)16(18,19)20/h5,9H,1,3,6-8H2,2,4H3,(H,21,24)/b14-12-
InChIKeyFDDXWFJRZGMJCT-OWBHPGMISA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide?
The IUPAC name of N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide (CID 166491393) is N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide.
What is the SMILES notation for N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide?
The canonical SMILES for N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide is C=C/C(CCNC(C)=O)=C(\C(=C)F)c1cn(CC)nc1C(F)(F)F.
What is the InChIKey of N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide?
The InChIKey is FDDXWFJRZGMJCT-OWBHPGMISA-N. The full InChI is InChI=1S/C16H19F4N3O/c1-5-12(7-8-21-11(4)24)14(10(3)17)13-9-23(6-2)22-15(13)16(18,19)20/h5,9H,1,3,6-8H2,2,4H3,(H,21,24)/b14-12-.
What are the key properties of N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide?
N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide has a molecular weight of 345.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide is sourced from PubChem (CID 166491393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).