(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole

C8H10N2 — CID 156818191

IUPAC(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/cnn(C)c1=C
InChIInChI=1S/C8H10N2/c1-4-5-8-6-9-10(3)7(8)2/h4-6H,1-2H2,3H3/b8-5-
InChIKeyQFHUIXVHTDIJLJ-YVMONPNESA-N
MW134.18 g/mol
LogP-0.20
Rot. Bonds1

About (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole

(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole (PubChem CID 156818191) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole.

Molecular Properties

Compound Name(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole
PubChem CID156818191
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/cnn(C)c1=C
InChIInChI=1S/C8H10N2/c1-4-5-8-6-9-10(3)7(8)2/h4-6H,1-2H2,3H3/b8-5-
InChIKeyQFHUIXVHTDIJLJ-YVMONPNESA-N
XLogP-0.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole?
The IUPAC name of (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole (CID 156818191) is (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole.
What is the SMILES notation for (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole?
The canonical SMILES for (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole is C=C/C=c1/cnn(C)c1=C.
What is the InChIKey of (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole?
The InChIKey is QFHUIXVHTDIJLJ-YVMONPNESA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-8-6-9-10(3)7(8)2/h4-6H,1-2H2,3H3/b8-5-.
What are the key properties of (4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole?
(4E)-1-methyl-5-methylidene-4-prop-2-enylidenepyrazole has a molecular weight of 134.18 g/mol, XLogP of -0.20, 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-prop-2-enylidenepyrazole is sourced from PubChem (CID 156818191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).