(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole

C14H22N2 — CID 134444254

IUPAC(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole
SMILESC=C/C=c1\c(=C/C)c(C(C)C)nn1C(C)C
InChIInChI=1S/C14H22N2/c1-7-9-13-12(8-2)14(10(3)4)15-16(13)11(5)6/h7-11H,1H2,2-6H3/b12-8+,13-9+
InChIKeyWEELKQGNWFVTAD-QHKWOANTSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds3

About (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole

(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole (PubChem CID 134444254) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole
PubChem CID134444254
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole
SMILESC=C/C=c1\c(=C/C)c(C(C)C)nn1C(C)C
InChIInChI=1S/C14H22N2/c1-7-9-13-12(8-2)14(10(3)4)15-16(13)11(5)6/h7-11H,1H2,2-6H3/b12-8+,13-9+
InChIKeyWEELKQGNWFVTAD-QHKWOANTSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole 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)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole?
The IUPAC name of (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole (CID 134444254) is (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole?
The canonical SMILES for (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole is C=C/C=c1\c(=C/C)c(C(C)C)nn1C(C)C.
What is the InChIKey of (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole?
The InChIKey is WEELKQGNWFVTAD-QHKWOANTSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-9-13-12(8-2)14(10(3)4)15-16(13)11(5)6/h7-11H,1H2,2-6H3/b12-8+,13-9+.
What are the key properties of (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole?
(4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole has a molecular weight of 218.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-1,3-di(propan-2-yl)-5-prop-2-enylidenepyrazole is sourced from PubChem (CID 134444254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).