ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole

C8H13FN2 — CID 177160641

IUPACethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
SMILESC=c1cnn(C)/c1=C\F.CC
InChIInChI=1S/C6H7FN2.C2H6/c1-5-4-8-9(2)6(5)3-7;1-2/h3-4H,1H2,2H3;1-2H3/b6-3-;
InChIKeyMUBOSZQHEFGELI-AQPBACSKSA-N
MW156.20 g/mol
LogP0.56
Rot. Bonds

About ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole

ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole (PubChem CID 177160641) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole.

Molecular Properties

Compound Nameethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
PubChem CID177160641
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Nameethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
SMILESC=c1cnn(C)/c1=C\F.CC
InChIInChI=1S/C6H7FN2.C2H6/c1-5-4-8-9(2)6(5)3-7;1-2/h3-4H,1H2,2H3;1-2H3/b6-3-;
InChIKeyMUBOSZQHEFGELI-AQPBACSKSA-N
XLogP0.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
4,5-Dimethylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659818
(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
CID 177160515
1,4,5-Trimethyl-6-methylidenepyridazine
CID 89576331
1-Methyl-4,5-dimethylidenepyrazole
CID 91392542
1-Ethyl-5-methylidene-4-propan-2-ylidenepyrazole
CID 123352560
1-Methyl-5-methylidene-4-propan-2-ylidenepyrazole
CID 123471879
(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
CID 145087227
(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole
CID 156818191
(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole
CID 162529296
(5E)-1-methyl-4-methylidene-5-propylidenepyrazole
CID 166958163

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
The IUPAC name of ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole (CID 177160641) is ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole.
What is the SMILES notation for ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
The canonical SMILES for ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole is C=c1cnn(C)/c1=C\F.CC.
What is the InChIKey of ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
The InChIKey is MUBOSZQHEFGELI-AQPBACSKSA-N. The full InChI is InChI=1S/C6H7FN2.C2H6/c1-5-4-8-9(2)6(5)3-7;1-2/h3-4H,1H2,2H3;1-2H3/b6-3-;.
What are the key properties of ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole has a molecular weight of 156.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole is sourced from PubChem (CID 177160641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).