ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole

C11H18N2 — CID 144885720

IUPACethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/cnn(C)/c1=C/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-4-6-8-7-10-11(3)9(8)5-2;1-2/h4-7H,1H2,2-3H3;1-2H3/b8-6-,9-5+;
InChIKeyLPGGEJWPEQDRPO-MWGMOTBOSA-N
MW178.28 g/mol
LogP1.21
Rot. Bonds1

About ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole

ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole (PubChem CID 144885720) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole.

Molecular Properties

Compound Nameethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole
PubChem CID144885720
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/cnn(C)/c1=C/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-4-6-8-7-10-11(3)9(8)5-2;1-2/h4-7H,1H2,2-3H3;1-2H3/b8-6-,9-5+;
InChIKeyLPGGEJWPEQDRPO-MWGMOTBOSA-N
XLogP1.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole?
The IUPAC name of ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole (CID 144885720) is ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole.
What is the SMILES notation for ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole?
The canonical SMILES for ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole is C=C/C=c1/cnn(C)/c1=C/C.CC.
What is the InChIKey of ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole?
The InChIKey is LPGGEJWPEQDRPO-MWGMOTBOSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-4-6-8-7-10-11(3)9(8)5-2;1-2/h4-7H,1H2,2-3H3;1-2H3/b8-6-,9-5+;.
What are the key properties of ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole?
ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole has a molecular weight of 178.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole is sourced from PubChem (CID 144885720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).