1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole

C14H15F3N2 — CID 143614594

IUPAC1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole
SMILESC=C/C=C\C=C/Cn1cc(C(=C)C)c(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2/c1-4-5-6-7-8-9-19-10-12(11(2)3)13(18-19)14(15,16)17/h4-8,10H,1-2,9H2,3H3/b6-5-,8-7-
InChIKeyTXLPELPPHCNHBW-ISTTXYCBSA-N
MW268.28 g/mol
LogP4.23
Rot. Bonds5

About 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole

1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 143614594) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID143614594
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole
SMILESC=C/C=C\C=C/Cn1cc(C(=C)C)c(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2/c1-4-5-6-7-8-9-19-10-12(11(2)3)13(18-19)14(15,16)17/h4-8,10H,1-2,9H2,3H3/b6-5-,8-7-
InChIKeyTXLPELPPHCNHBW-ISTTXYCBSA-N
XLogP4.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole 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 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole (CID 143614594) is 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole is C=C/C=C\C=C/Cn1cc(C(=C)C)c(C(F)(F)F)n1.
What is the InChIKey of 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is TXLPELPPHCNHBW-ISTTXYCBSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-4-5-6-7-8-9-19-10-12(11(2)3)13(18-19)14(15,16)17/h4-8,10H,1-2,9H2,3H3/b6-5-,8-7-.
What are the key properties of 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole?
1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 268.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 143614594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).