ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole

C8H16N2 — CID 162725571

IUPACethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole
SMILESC/C=C1\CC=NN1C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-3-6-4-5-7-8(6)2;1-2/h3,5H,4H2,1-2H3;1-2H3/b6-3+;
InChIKeyDPPKRDWKKWJSEY-ZIKNSQGESA-N
MW140.23 g/mol
LogP2.24
Rot. Bonds

About ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole

ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole (PubChem CID 162725571) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole.

Molecular Properties

Compound Nameethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole
PubChem CID162725571
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole
SMILESC/C=C1\CC=NN1C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-3-6-4-5-7-8(6)2;1-2/h3,5H,4H2,1-2H3;1-2H3/b6-3+;
InChIKeyDPPKRDWKKWJSEY-ZIKNSQGESA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole?
The IUPAC name of ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole (CID 162725571) is ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole.
What is the SMILES notation for ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole?
The canonical SMILES for ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole is C/C=C1\CC=NN1C.CC.
What is the InChIKey of ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole?
The InChIKey is DPPKRDWKKWJSEY-ZIKNSQGESA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-3-6-4-5-7-8(6)2;1-2/h3,5H,4H2,1-2H3;1-2H3/b6-3+;.
What are the key properties of ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole?
ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole has a molecular weight of 140.23 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-ethylidene-1-methyl-4H-pyrazole is sourced from PubChem (CID 162725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).