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

C8H16N2 — CID 135303169

IUPAC3-tert-butyl-2-methyl-1,5-dihydropyrazole
SMILESCN1NCC=C1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7-5-6-9-10(7)4/h5,9H,6H2,1-4H3
InChIKeyHZOUBOJOCACPIO-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds

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

3-tert-butyl-2-methyl-1,5-dihydropyrazole (PubChem CID 135303169) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-1,5-dihydropyrazole
PubChem CID135303169
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-tert-butyl-2-methyl-1,5-dihydropyrazole
SMILESCN1NCC=C1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7-5-6-9-10(7)4/h5,9H,6H2,1-4H3
InChIKeyHZOUBOJOCACPIO-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-1,5-dihydropyrazole?
The IUPAC name of 3-tert-butyl-2-methyl-1,5-dihydropyrazole (CID 135303169) is 3-tert-butyl-2-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 3-tert-butyl-2-methyl-1,5-dihydropyrazole?
The canonical SMILES for 3-tert-butyl-2-methyl-1,5-dihydropyrazole is CN1NCC=C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-1,5-dihydropyrazole?
The InChIKey is HZOUBOJOCACPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7-5-6-9-10(7)4/h5,9H,6H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-1,5-dihydropyrazole?
3-tert-butyl-2-methyl-1,5-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 135303169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).