1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole

C14H16F2N2 — CID 170106808

IUPAC1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=C(F)/C=C\C(=C(/C)F)n1ncc(=C(C)C)c1=C
InChIInChI=1S/C14H16F2N2/c1-9(2)13-8-17-18(12(13)5)14(11(4)16)7-6-10(3)15/h6-8H,3,5H2,1-2,4H3/b7-6-,14-11-
InChIKeyWGPKRDGPTBDXKR-BKIWZHBDSA-N
MW250.29 g/mol
LogP2.68
Rot. Bonds3

About 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole

1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole (PubChem CID 170106808) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole.

Molecular Properties

Compound Name1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole
PubChem CID170106808
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=C(F)/C=C\C(=C(/C)F)n1ncc(=C(C)C)c1=C
InChIInChI=1S/C14H16F2N2/c1-9(2)13-8-17-18(12(13)5)14(11(4)16)7-6-10(3)15/h6-8H,3,5H2,1-2,4H3/b7-6-,14-11-
InChIKeyWGPKRDGPTBDXKR-BKIWZHBDSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole with MolForge

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

Launch Full Analysis

Related Compounds

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659830
(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659831
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342636
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
CID 142300294
(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazole
CID 142338035
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane
CID 144080201
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole
CID 144080202
ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole
CID 144885720

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole?
The IUPAC name of 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole (CID 170106808) is 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole.
What is the SMILES notation for 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole?
The canonical SMILES for 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole is C=C(F)/C=C\C(=C(/C)F)n1ncc(=C(C)C)c1=C.
What is the InChIKey of 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole?
The InChIKey is WGPKRDGPTBDXKR-BKIWZHBDSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-9(2)13-8-17-18(12(13)5)14(11(4)16)7-6-10(3)15/h6-8H,3,5H2,1-2,4H3/b7-6-,14-11-.
What are the key properties of 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole?
1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole has a molecular weight of 250.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole is sourced from PubChem (CID 170106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).