(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole

C10H14N2 — CID 138478028

IUPAC(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole
SMILESC=C/C=C\C(C)=C1/CNN=C1C
InChIInChI=1S/C10H14N2/c1-4-5-6-8(2)10-7-11-12-9(10)3/h4-6,11H,1,7H2,2-3H3/b6-5-,10-8+
InChIKeyJMANWZDIGZEGHL-UGXDAERVSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole

(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole (PubChem CID 138478028) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole
PubChem CID138478028
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole
SMILESC=C/C=C\C(C)=C1/CNN=C1C
InChIInChI=1S/C10H14N2/c1-4-5-6-8(2)10-7-11-12-9(10)3/h4-6,11H,1,7H2,2-3H3/b6-5-,10-8+
InChIKeyJMANWZDIGZEGHL-UGXDAERVSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
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-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole?
The IUPAC name of (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole (CID 138478028) is (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole.
What is the SMILES notation for (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole?
The canonical SMILES for (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole is C=C/C=C\C(C)=C1/CNN=C1C.
What is the InChIKey of (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole?
The InChIKey is JMANWZDIGZEGHL-UGXDAERVSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-5-6-8(2)10-7-11-12-9(10)3/h4-6,11H,1,7H2,2-3H3/b6-5-,10-8+.
What are the key properties of (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole?
(4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3Z)-hexa-3,5-dien-2-ylidene]-3-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 138478028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).