4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine

C16H18F3N3 — CID 143156309

IUPAC4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)C/C=C\c1[nH]nc(N)c1C=C
InChIInChI=1S/C16H18F3N3/c1-4-12(10-9-11(3)16(17,18)19)7-6-8-14-13(5-2)15(20)22-21-14/h4-6,8-10H,1-2,7H2,3H3,(H3,20,21,22)/b8-6-,11-9+,12-10+
InChIKeyJJQIAULEEZFOFJ-BSPFAPSJSA-N
MW309.34 g/mol
LogP4.66
Rot. Bonds6

About 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine

4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine (PubChem CID 143156309) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
PubChem CID143156309
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)C/C=C\c1[nH]nc(N)c1C=C
InChIInChI=1S/C16H18F3N3/c1-4-12(10-9-11(3)16(17,18)19)7-6-8-14-13(5-2)15(20)22-21-14/h4-6,8-10H,1-2,7H2,3H3,(H3,20,21,22)/b8-6-,11-9+,12-10+
InChIKeyJJQIAULEEZFOFJ-BSPFAPSJSA-N
XLogP4.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine with MolForge

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Related Compounds

4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole
CID 123537109
ethane;4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
CID 143156308
5-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
CID 144979719
4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine
CID 89088651
CID 90117477
CID 90117477
5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
CID 118614865
(4E)-3-methyl-6,7-dihydro-2H-pyrazolo[3,4-b]azocin-8-amine
CID 123219478
5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
CID 129048961
4,5-bis(ethenyl)-1H-pyrazol-3-amine
CID 129060101
[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]hydrazine
CID 129060126
5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
CID 129060165
4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine
CID 129071759

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine (CID 143156309) is 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine is C=C/C(=C\C=C(/C)C(F)(F)F)C/C=C\c1[nH]nc(N)c1C=C.
What is the InChIKey of 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine?
The InChIKey is JJQIAULEEZFOFJ-BSPFAPSJSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-4-12(10-9-11(3)16(17,18)19)7-6-8-14-13(5-2)15(20)22-21-14/h4-6,8-10H,1-2,7H2,3H3,(H3,20,21,22)/b8-6-,11-9+,12-10+.
What are the key properties of 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine?
4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine has a molecular weight of 309.34 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 143156309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).