1-tert-butyl-3,5-dimethylpyrazole;methane

C11H24N2 — CID 159275422

IUPAC1-tert-butyl-3,5-dimethylpyrazole;methane
SMILESC.C.Cc1cc(C)n(C(C)(C)C)n1
InChIInChI=1S/C9H16N2.2CH4/c1-7-6-8(2)11(10-7)9(3,4)5;;/h6H,1-5H3;2*1H4
InChIKeyKYFZTFQTNMIMLD-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.53
Rot. Bonds

About 1-tert-butyl-3,5-dimethylpyrazole;methane

1-tert-butyl-3,5-dimethylpyrazole;methane (PubChem CID 159275422) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethylpyrazole;methane.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethylpyrazole;methane
PubChem CID159275422
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-tert-butyl-3,5-dimethylpyrazole;methane
SMILESC.C.Cc1cc(C)n(C(C)(C)C)n1
InChIInChI=1S/C9H16N2.2CH4/c1-7-6-8(2)11(10-7)9(3,4)5;;/h6H,1-5H3;2*1H4
InChIKeyKYFZTFQTNMIMLD-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethylpyrazole;methane?
The IUPAC name of 1-tert-butyl-3,5-dimethylpyrazole;methane (CID 159275422) is 1-tert-butyl-3,5-dimethylpyrazole;methane.
What is the SMILES notation for 1-tert-butyl-3,5-dimethylpyrazole;methane?
The canonical SMILES for 1-tert-butyl-3,5-dimethylpyrazole;methane is C.C.Cc1cc(C)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3,5-dimethylpyrazole;methane?
The InChIKey is KYFZTFQTNMIMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2CH4/c1-7-6-8(2)11(10-7)9(3,4)5;;/h6H,1-5H3;2*1H4.
What are the key properties of 1-tert-butyl-3,5-dimethylpyrazole;methane?
1-tert-butyl-3,5-dimethylpyrazole;methane has a molecular weight of 184.33 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethylpyrazole;methane is sourced from PubChem (CID 159275422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).