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

C18H24F3N3 — CID 143156308

IUPACethane;4-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.CC
InChIInChI=1S/C16H18F3N3.C2H6/c1-4-12(10-9-11(3)16(17,18)19)7-6-8-14-13(5-2)15(20)22-21-14;1-2/h4-6,8-10H,1-2,7H2,3H3,(H3,20,21,22);1-2H3/b8-6-,11-9+,12-10+;
InChIKeyDGDQIXRMSAQOBN-BRRKTZBUSA-N
MW339.41 g/mol
LogP5.69
Rot. Bonds6

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

ethane;4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine (PubChem CID 143156308) has the molecular formula C18H24F3N3 and a molecular weight of 339.41 g/mol. Its IUPAC name is ethane;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 Nameethane;4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
PubChem CID143156308
Molecular FormulaC18H24F3N3
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC Nameethane;4-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.CC
InChIInChI=1S/C16H18F3N3.C2H6/c1-4-12(10-9-11(3)16(17,18)19)7-6-8-14-13(5-2)15(20)22-21-14;1-2/h4-6,8-10H,1-2,7H2,3H3,(H3,20,21,22);1-2H3/b8-6-,11-9+,12-10+;
InChIKeyDGDQIXRMSAQOBN-BRRKTZBUSA-N
XLogP5.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;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
5-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
CID 144979719
4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
CID 143156309
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 ethane;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 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) is ethane;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 ethane;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 ethane;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.CC.
What is the InChIKey of ethane;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 DGDQIXRMSAQOBN-BRRKTZBUSA-N. The full InChI is InChI=1S/C16H18F3N3.C2H6/c1-4-12(10-9-11(3)16(17,18)19)7-6-8-14-13(5-2)15(20)22-21-14;1-2/h4-6,8-10H,1-2,7H2,3H3,(H3,20,21,22);1-2H3/b8-6-,11-9+,12-10+;.
What are the key properties of ethane;4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine?
ethane;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 339.41 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;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 143156308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).