3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole

C11H18N2 — CID 129028149

IUPAC3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole
SMILESC=Cc1cc(C(C)C(C)C)n(C)n1
InChIInChI=1S/C11H18N2/c1-6-10-7-11(13(5)12-10)9(4)8(2)3/h6-9H,1H2,2-5H3
InChIKeyYVRKABFNPYKHKO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.82
Rot. Bonds3

About 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole

3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole (PubChem CID 129028149) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole
PubChem CID129028149
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole
SMILESC=Cc1cc(C(C)C(C)C)n(C)n1
InChIInChI=1S/C11H18N2/c1-6-10-7-11(13(5)12-10)9(4)8(2)3/h6-9H,1H2,2-5H3
InChIKeyYVRKABFNPYKHKO-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole?
The IUPAC name of 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole (CID 129028149) is 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole?
The canonical SMILES for 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole is C=Cc1cc(C(C)C(C)C)n(C)n1.
What is the InChIKey of 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole?
The InChIKey is YVRKABFNPYKHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-10-7-11(13(5)12-10)9(4)8(2)3/h6-9H,1H2,2-5H3.
What are the key properties of 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole?
3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-5-(3-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 129028149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).