(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane

C11H18N2 — CID 143334506

IUPAC(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane
SMILESC=C/C(C)=c1/cn[nH]/c1=C/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-4-7(3)8-6-10-11-9(8)5-2;1-2/h4-6,11H,1H2,2-3H3;1-2H3/b8-7-,9-5+;
InChIKeyLTFXWKDYCBYSMY-KQWNQWHXSA-N
MW178.28 g/mol
LogP1.59
Rot. Bonds1

About (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane

(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane (PubChem CID 143334506) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane.

Molecular Properties

Compound Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane
PubChem CID143334506
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane
SMILESC=C/C(C)=c1/cn[nH]/c1=C/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-4-7(3)8-6-10-11-9(8)5-2;1-2/h4-6,11H,1H2,2-3H3;1-2H3/b8-7-,9-5+;
InChIKeyLTFXWKDYCBYSMY-KQWNQWHXSA-N
XLogP1.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole
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4,5-di(propan-2-ylidene)-1H-pyrazole
CID 57564410
1,4-Dihydroindazol-4-ide;yttrium
CID 59593792
(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine
CID 88558712
6-methyl-5,6-dihydro-1H-indazole
CID 89017741
(E)-[(5E)-5-prop-2-enylidene-1H-pyrazol-4-ylidene]methanamine
CID 89086535
(4E)-4-[(2Z)-2-methylpenta-2,4-dienylidene]-1,5-dihydropyrazole
CID 89180329
4-methylidene-5-propan-2-ylidene-1H-pyrazole
CID 89206771
7-Methyl-1,7-dihydrocyclohepta[c]pyrazole
CID 89329450
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
CID 89469096

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane?
The IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane (CID 143334506) is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane.
What is the SMILES notation for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane?
The canonical SMILES for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane is C=C/C(C)=c1/cn[nH]/c1=C/C.CC.
What is the InChIKey of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane?
The InChIKey is LTFXWKDYCBYSMY-KQWNQWHXSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-4-7(3)8-6-10-11-9(8)5-2;1-2/h4-6,11H,1H2,2-3H3;1-2H3/b8-7-,9-5+;.
What are the key properties of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane?
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane has a molecular weight of 178.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane is sourced from PubChem (CID 143334506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).