(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole

C11H16N2 — CID 142300294

IUPAC(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
SMILESC=c1cnn(C(C)C)/c1=C/C=C\C
InChIInChI=1S/C11H16N2/c1-5-6-7-11-10(4)8-12-13(11)9(2)3/h5-9H,4H2,1-3H3/b6-5-,11-7+
InChIKeyVSBNLHRARFMWEN-GNLLZQBYSA-N
MW176.26 g/mol
LogP1.23
Rot. Bonds2

About (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole

(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole (PubChem CID 142300294) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
PubChem CID142300294
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
SMILESC=c1cnn(C(C)C)/c1=C/C=C\C
InChIInChI=1S/C11H16N2/c1-5-6-7-11-10(4)8-12-13(11)9(2)3/h5-9H,4H2,1-3H3/b6-5-,11-7+
InChIKeyVSBNLHRARFMWEN-GNLLZQBYSA-N
XLogP1.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole
CID 130341197
(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
ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659830
1-methyl-N-(2-methylpropyl)-N-propyl-3a,7a-dihydroindazol-5-amine
CID 59514039
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
2-hepta-3,5-dien-3-yl-3H-pyridazine
CID 91480402
N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
CID 123158636
1-Ethyl-5-methylidene-4-propan-2-ylidenepyrazole
CID 123352560
N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
CID 123469461
7-Methyl-6,7-dihydropyrrolo[1,2-b]pyridazine
CID 123587442
N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine
CID 123740244

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole (CID 142300294) is (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole is C=c1cnn(C(C)C)/c1=C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole?
The InChIKey is VSBNLHRARFMWEN-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-6-7-11-10(4)8-12-13(11)9(2)3/h5-9H,4H2,1-3H3/b6-5-,11-7+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole?
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole has a molecular weight of 176.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole is sourced from PubChem (CID 142300294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).