(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole

C11H14N2 — CID 130459173

IUPAC(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole
SMILESC=C/C=c1/cn[nH]/c1=C(C)/C=C\C
InChIInChI=1S/C11H14N2/c1-4-6-9(3)11-10(7-5-2)8-12-13-11/h4-8,13H,2H2,1,3H3/b6-4-,10-7-,11-9+
InChIKeyHXCDRNFWDIFVLG-AGIVQEDHSA-N
MW174.25 g/mol
LogP1.12
Rot. Bonds2

About (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole

(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole (PubChem CID 130459173) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole
PubChem CID130459173
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole
SMILESC=C/C=c1/cn[nH]/c1=C(C)/C=C\C
InChIInChI=1S/C11H14N2/c1-4-6-9(3)11-10(7-5-2)8-12-13-11/h4-8,13H,2H2,1,3H3/b6-4-,10-7-,11-9+
InChIKeyHXCDRNFWDIFVLG-AGIVQEDHSA-N
XLogP1.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane
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5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-pyrazole
CID 144586960
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
CID 144598133
5-[(Z)-prop-1-enyl]-4-prop-1-en-2-yl-1H-pyrazole
CID 155741579
4-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-1H-pyrazole
CID 123744662
5-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-1H-pyrazole
CID 143483242
(4E,5Z)-4-[(Z)-but-2-enylidene]-5-propylidene-1H-pyrazole
CID 167020649
(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile
CID 146362499
(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole
CID 167502334
5-ethenyl-4-prop-1-en-2-yl-1H-pyrazole
CID 143124690
4-penta-1,3-dien-2-yl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole?
The IUPAC name of (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole (CID 130459173) is (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole.
What is the SMILES notation for (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole?
The canonical SMILES for (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole is C=C/C=c1/cn[nH]/c1=C(C)/C=C\C.
What is the InChIKey of (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole?
The InChIKey is HXCDRNFWDIFVLG-AGIVQEDHSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-6-9(3)11-10(7-5-2)8-12-13-11/h4-8,13H,2H2,1,3H3/b6-4-,10-7-,11-9+.
What are the key properties of (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole?
(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole has a molecular weight of 174.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole is sourced from PubChem (CID 130459173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).