2,5-ditert-butyl-3,4-dihydropyrazole

C11H22N2 — CID 118332592

IUPAC2,5-ditert-butyl-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-10(2,3)9-7-8-13(12-9)11(4,5)6/h7-8H2,1-6H3
InChIKeyVOCQEOHGBNHEPP-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.89
Rot. Bonds

About 2,5-ditert-butyl-3,4-dihydropyrazole

2,5-ditert-butyl-3,4-dihydropyrazole (PubChem CID 118332592) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,5-ditert-butyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-ditert-butyl-3,4-dihydropyrazole
PubChem CID118332592
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,5-ditert-butyl-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-10(2,3)9-7-8-13(12-9)11(4,5)6/h7-8H2,1-6H3
InChIKeyVOCQEOHGBNHEPP-UHFFFAOYSA-N
XLogP2.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-3,4-dihydropyrazole?
The IUPAC name of 2,5-ditert-butyl-3,4-dihydropyrazole (CID 118332592) is 2,5-ditert-butyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-ditert-butyl-3,4-dihydropyrazole?
The canonical SMILES for 2,5-ditert-butyl-3,4-dihydropyrazole is CC(C)(C)C1=NN(C(C)(C)C)CC1.
What is the InChIKey of 2,5-ditert-butyl-3,4-dihydropyrazole?
The InChIKey is VOCQEOHGBNHEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2,3)9-7-8-13(12-9)11(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-3,4-dihydropyrazole?
2,5-ditert-butyl-3,4-dihydropyrazole has a molecular weight of 182.31 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3,4-dihydropyrazole is sourced from PubChem (CID 118332592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).