3,4-bis(ethenyl)-1-methylpyrazole;ethane

C10H16N2 — CID 142981552

IUPAC3,4-bis(ethenyl)-1-methylpyrazole;ethane
SMILESC=Cc1cn(C)nc1C=C.CC
InChIInChI=1S/C8H10N2.C2H6/c1-4-7-6-10(3)9-8(7)5-2;1-2/h4-6H,1-2H2,3H3;1-2H3
InChIKeyDBBPHOZCZLJNIF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.73
Rot. Bonds2

About 3,4-bis(ethenyl)-1-methylpyrazole;ethane

3,4-bis(ethenyl)-1-methylpyrazole;ethane (PubChem CID 142981552) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-methylpyrazole;ethane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-methylpyrazole;ethane
PubChem CID142981552
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,4-bis(ethenyl)-1-methylpyrazole;ethane
SMILESC=Cc1cn(C)nc1C=C.CC
InChIInChI=1S/C8H10N2.C2H6/c1-4-7-6-10(3)9-8(7)5-2;1-2/h4-6H,1-2H2,3H3;1-2H3
InChIKeyDBBPHOZCZLJNIF-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-methylpyrazole;ethane?
The IUPAC name of 3,4-bis(ethenyl)-1-methylpyrazole;ethane (CID 142981552) is 3,4-bis(ethenyl)-1-methylpyrazole;ethane.
What is the SMILES notation for 3,4-bis(ethenyl)-1-methylpyrazole;ethane?
The canonical SMILES for 3,4-bis(ethenyl)-1-methylpyrazole;ethane is C=Cc1cn(C)nc1C=C.CC.
What is the InChIKey of 3,4-bis(ethenyl)-1-methylpyrazole;ethane?
The InChIKey is DBBPHOZCZLJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-4-7-6-10(3)9-8(7)5-2;1-2/h4-6H,1-2H2,3H3;1-2H3.
What are the key properties of 3,4-bis(ethenyl)-1-methylpyrazole;ethane?
3,4-bis(ethenyl)-1-methylpyrazole;ethane has a molecular weight of 164.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-methylpyrazole;ethane is sourced from PubChem (CID 142981552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).