(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole

C13H20N2 — CID 129157344

IUPAC(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
SMILESC/C=C\C=c1/c(=C\C)cnn1C(C)CC
InChIInChI=1S/C13H20N2/c1-5-8-9-13-12(7-3)10-14-15(13)11(4)6-2/h5,7-11H,6H2,1-4H3/b8-5-,12-7-,13-9+
InChIKeyRLIDAJFPOCIVIO-AUDQONTRSA-N
MW204.32 g/mol
LogP2.01
Rot. Bonds3

About (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole

(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole (PubChem CID 129157344) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole.

Molecular Properties

Compound Name(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
PubChem CID129157344
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
SMILESC/C=C\C=c1/c(=C\C)cnn1C(C)CC
InChIInChI=1S/C13H20N2/c1-5-8-9-13-12(7-3)10-14-15(13)11(4)6-2/h5,7-11H,6H2,1-4H3/b8-5-,12-7-,13-9+
InChIKeyRLIDAJFPOCIVIO-AUDQONTRSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole 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 (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole?
The IUPAC name of (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole (CID 129157344) is (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole.
What is the SMILES notation for (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole?
The canonical SMILES for (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole is C/C=C\C=c1/c(=C\C)cnn1C(C)CC.
What is the InChIKey of (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole?
The InChIKey is RLIDAJFPOCIVIO-AUDQONTRSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-8-9-13-12(7-3)10-14-15(13)11(4)6-2/h5,7-11H,6H2,1-4H3/b8-5-,12-7-,13-9+.
What are the key properties of (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole?
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole has a molecular weight of 204.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole is sourced from PubChem (CID 129157344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).