(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole

C11H14N2 — CID 145323618

IUPAC(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole
SMILESC=C/C=c1\c(=C/C=C\C)cnn1C
InChIInChI=1S/C11H14N2/c1-4-6-8-10-9-12-13(3)11(10)7-5-2/h4-9H,2H2,1,3H3/b6-4-,10-8-,11-7+
InChIKeyXXLGNHPHBGXJAG-BAQMHCSOSA-N
MW174.25 g/mol
LogP0.74
Rot. Bonds2

About (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole

(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole (PubChem CID 145323618) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole
PubChem CID145323618
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole
SMILESC=C/C=c1\c(=C/C=C\C)cnn1C
InChIInChI=1S/C11H14N2/c1-4-6-8-10-9-12-13(3)11(10)7-5-2/h4-9H,2H2,1,3H3/b6-4-,10-8-,11-7+
InChIKeyXXLGNHPHBGXJAG-BAQMHCSOSA-N
XLogP0.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole
CID 170106808
(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659831
1,4-Dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium
CID 59708904
1,6-Dimethyl-5,6-dihydroindazole
CID 68021264
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
CID 89469096
(6S)-1,6-dimethyl-5,6-dihydroindazole
CID 89510252
1,4,5-Trimethyl-6-methylidenepyridazine
CID 89576331
1,4,4-Trimethyl-7-methylidenediazepine
CID 91299695
1-Methyl-4,5-dimethylidenepyrazole
CID 91392542
2-hepta-3,5-dien-3-yl-3H-pyridazine
CID 91480402

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole?
The IUPAC name of (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole (CID 145323618) is (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole.
What is the SMILES notation for (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole?
The canonical SMILES for (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole is C=C/C=c1\c(=C/C=C\C)cnn1C.
What is the InChIKey of (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole?
The InChIKey is XXLGNHPHBGXJAG-BAQMHCSOSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-6-8-10-9-12-13(3)11(10)7-5-2/h4-9H,2H2,1,3H3/b6-4-,10-8-,11-7+.
What are the key properties of (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole?
(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole has a molecular weight of 174.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole is sourced from PubChem (CID 145323618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).