3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole

C10H18N2 — CID 138580307

IUPAC3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole
SMILESC=CC1C=C(C(C)(C)C)N(C)N1
InChIInChI=1S/C10H18N2/c1-6-8-7-9(10(2,3)4)12(5)11-8/h6-8,11H,1H2,2-5H3
InChIKeySAODFGZIXWZJAN-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.92
Rot. Bonds1

About 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole

3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole (PubChem CID 138580307) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole
PubChem CID138580307
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole
SMILESC=CC1C=C(C(C)(C)C)N(C)N1
InChIInChI=1S/C10H18N2/c1-6-8-7-9(10(2,3)4)12(5)11-8/h6-8,11H,1H2,2-5H3
InChIKeySAODFGZIXWZJAN-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole?
The IUPAC name of 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole (CID 138580307) is 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole?
The canonical SMILES for 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole is C=CC1C=C(C(C)(C)C)N(C)N1.
What is the InChIKey of 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole?
The InChIKey is SAODFGZIXWZJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8-7-9(10(2,3)4)12(5)11-8/h6-8,11H,1H2,2-5H3.
What are the key properties of 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole?
3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole has a molecular weight of 166.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 138580307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).