ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole

C15H28N2 — CID 143873125

IUPACethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole
SMILESC=C/C=C(\CC)Cn1cc(C)cn1.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-4-6-11(5-2)9-13-8-10(3)7-12-13;2*1-2/h4,6-8H,1,5,9H2,2-3H3;2*1-2H3/b11-6+;;
InChIKeyDWYGLGKNIDYGMG-QVLKBJGCSA-N
MW236.40 g/mol
LogP4.77
Rot. Bonds4

About ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole

ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole (PubChem CID 143873125) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole.

Molecular Properties

Compound Nameethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole
PubChem CID143873125
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole
SMILESC=C/C=C(\CC)Cn1cc(C)cn1.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-4-6-11(5-2)9-13-8-10(3)7-12-13;2*1-2/h4,6-8H,1,5,9H2,2-3H3;2*1-2H3/b11-6+;;
InChIKeyDWYGLGKNIDYGMG-QVLKBJGCSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole 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 ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole?
The IUPAC name of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole (CID 143873125) is ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole.
What is the SMILES notation for ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole?
The canonical SMILES for ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole is C=C/C=C(\CC)Cn1cc(C)cn1.CC.CC.
What is the InChIKey of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole?
The InChIKey is DWYGLGKNIDYGMG-QVLKBJGCSA-N. The full InChI is InChI=1S/C11H16N2.2C2H6/c1-4-6-11(5-2)9-13-8-10(3)7-12-13;2*1-2/h4,6-8H,1,5,9H2,2-3H3;2*1-2H3/b11-6+;;.
What are the key properties of ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole?
ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole has a molecular weight of 236.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-4-methylpyrazole is sourced from PubChem (CID 143873125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).