(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole

C9H12N2 — CID 145087227

IUPAC(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
SMILESC=C(C)/C=c1/cnn(C)c1=C
InChIInChI=1S/C9H12N2/c1-7(2)5-9-6-10-11(4)8(9)3/h5-6H,1,3H2,2,4H3/b9-5-
InChIKeyYWMLYICLUVHUQG-UITAMQMPSA-N
MW148.21 g/mol
LogP0.19
Rot. Bonds1

About (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole

(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole (PubChem CID 145087227) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
PubChem CID145087227
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
SMILESC=C(C)/C=c1/cnn(C)c1=C
InChIInChI=1S/C9H12N2/c1-7(2)5-9-6-10-11(4)8(9)3/h5-6H,1,3H2,2,4H3/b9-5-
InChIKeyYWMLYICLUVHUQG-UITAMQMPSA-N
XLogP0.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.19
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
ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659830
(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659831
1,4-Dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium
CID 59708904
1,6-Dimethyl-5,6-dihydroindazole
CID 68021264
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
CID 89469096
(6S)-1,6-dimethyl-5,6-dihydroindazole
CID 89510252
1,4,5-Trimethyl-6-methylidenepyridazine
CID 89576331
1,5-Dimethyl-6-methylidenepyridazine
CID 89576333
1,4,4-Trimethyl-7-methylidenediazepine
CID 91299695
1-Methyl-4,5-dimethylidenepyrazole
CID 91392542

Frequently Asked Questions

What is the IUPAC name of (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole?
The IUPAC name of (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole (CID 145087227) is (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole.
What is the SMILES notation for (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole?
The canonical SMILES for (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole is C=C(C)/C=c1/cnn(C)c1=C.
What is the InChIKey of (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole?
The InChIKey is YWMLYICLUVHUQG-UITAMQMPSA-N. The full InChI is InChI=1S/C9H12N2/c1-7(2)5-9-6-10-11(4)8(9)3/h5-6H,1,3H2,2,4H3/b9-5-.
What are the key properties of (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole?
(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole has a molecular weight of 148.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole is sourced from PubChem (CID 145087227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).