(5E)-1-methyl-4-methylidene-5-propylidenepyrazole

C8H12N2 — CID 166958163

IUPAC(5E)-1-methyl-4-methylidene-5-propylidenepyrazole
SMILESC=c1cnn(C)/c1=C/CC
InChIInChI=1S/C8H12N2/c1-4-5-8-7(2)6-9-10(8)3/h5-6H,2,4H2,1,3H3/b8-5+
InChIKeyYDQLCSIUWNDKRN-VMPITWQZSA-N
MW136.20 g/mol
LogP0.02
Rot. Bonds1

About (5E)-1-methyl-4-methylidene-5-propylidenepyrazole

(5E)-1-methyl-4-methylidene-5-propylidenepyrazole (PubChem CID 166958163) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5E)-1-methyl-4-methylidene-5-propylidenepyrazole.

Molecular Properties

Compound Name(5E)-1-methyl-4-methylidene-5-propylidenepyrazole
PubChem CID166958163
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5E)-1-methyl-4-methylidene-5-propylidenepyrazole
SMILESC=c1cnn(C)/c1=C/CC
InChIInChI=1S/C8H12N2/c1-4-5-8-7(2)6-9-10(8)3/h5-6H,2,4H2,1,3H3/b8-5+
InChIKeyYDQLCSIUWNDKRN-VMPITWQZSA-N
XLogP0.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-methyl-4-methylidene-5-propylidenepyrazole?
The IUPAC name of (5E)-1-methyl-4-methylidene-5-propylidenepyrazole (CID 166958163) is (5E)-1-methyl-4-methylidene-5-propylidenepyrazole.
What is the SMILES notation for (5E)-1-methyl-4-methylidene-5-propylidenepyrazole?
The canonical SMILES for (5E)-1-methyl-4-methylidene-5-propylidenepyrazole is C=c1cnn(C)/c1=C/CC.
What is the InChIKey of (5E)-1-methyl-4-methylidene-5-propylidenepyrazole?
The InChIKey is YDQLCSIUWNDKRN-VMPITWQZSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-8-7(2)6-9-10(8)3/h5-6H,2,4H2,1,3H3/b8-5+.
What are the key properties of (5E)-1-methyl-4-methylidene-5-propylidenepyrazole?
(5E)-1-methyl-4-methylidene-5-propylidenepyrazole has a molecular weight of 136.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-methyl-4-methylidene-5-propylidenepyrazole is sourced from PubChem (CID 166958163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).