(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane

C13H24N2 — CID 145336020

IUPAC(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane
SMILESC=c1cnn(C)/c1=C/C=C\C.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-4-5-6-9-8(2)7-10-11(9)3;2*1-2/h4-7H,2H2,1,3H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyYKDGGFAXNWGSKT-QJYMLJTBSA-N
MW208.35 g/mol
LogP2.24
Rot. Bonds1

About (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane

(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane (PubChem CID 145336020) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane
PubChem CID145336020
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane
SMILESC=c1cnn(C)/c1=C/C=C\C.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-4-5-6-9-8(2)7-10-11(9)3;2*1-2/h4-7H,2H2,1,3H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyYKDGGFAXNWGSKT-QJYMLJTBSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane (CID 145336020) is (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane is C=c1cnn(C)/c1=C/C=C\C.CC.CC.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane?
The InChIKey is YKDGGFAXNWGSKT-QJYMLJTBSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-4-5-6-9-8(2)7-10-11(9)3;2*1-2/h4-7H,2H2,1,3H3;2*1-2H3/b5-4-,9-6+;;.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane?
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane has a molecular weight of 208.35 g/mol, XLogP of 2.24, 1 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]-1-methyl-4-methylidenepyrazole;ethane is sourced from PubChem (CID 145336020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).