(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole

C9H12N2 — CID 89180329

IUPAC(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole
SMILESC=C/C=C(C)\C=C1\C=NNC1
InChIInChI=1S/C9H12N2/c1-3-4-8(2)5-9-6-10-11-7-9/h3-6,11H,1,7H2,2H3/b8-4-,9-5-
InChIKeyISDVWLBVVVSPOC-XEQVNJCQSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds2

About (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole

(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole (PubChem CID 89180329) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole.

Molecular Properties

Compound Name(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole
PubChem CID89180329
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole
SMILESC=C/C=C(C)\C=C1\C=NNC1
InChIInChI=1S/C9H12N2/c1-3-4-8(2)5-9-6-10-11-7-9/h3-6,11H,1,7H2,2H3/b8-4-,9-5-
InChIKeyISDVWLBVVVSPOC-XEQVNJCQSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole?
The IUPAC name of (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole (CID 89180329) is (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole.
What is the SMILES notation for (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole?
The canonical SMILES for (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole is C=C/C=C(C)\C=C1\C=NNC1.
What is the InChIKey of (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole?
The InChIKey is ISDVWLBVVVSPOC-XEQVNJCQSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-8(2)5-9-6-10-11-7-9/h3-6,11H,1,7H2,2H3/b8-4-,9-5-.
What are the key properties of (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole?
(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole has a molecular weight of 148.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole is sourced from PubChem (CID 89180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).