3,5-ditert-butyl-3-methylpyrazole

C12H22N2 — CID 174433666

IUPAC3,5-ditert-butyl-3-methylpyrazole
SMILESCC(C)(C)C1=CC(C)(C(C)(C)C)N=N1
InChIInChI=1S/C12H22N2/c1-10(2,3)9-8-12(7,14-13-9)11(4,5)6/h8H,1-7H3
InChIKeyDLZVFZKQMWQKTJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.19
Rot. Bonds

About 3,5-ditert-butyl-3-methylpyrazole

3,5-ditert-butyl-3-methylpyrazole (PubChem CID 174433666) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,5-ditert-butyl-3-methylpyrazole.

Molecular Properties

Compound Name3,5-ditert-butyl-3-methylpyrazole
PubChem CID174433666
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,5-ditert-butyl-3-methylpyrazole
SMILESCC(C)(C)C1=CC(C)(C(C)(C)C)N=N1
InChIInChI=1S/C12H22N2/c1-10(2,3)9-8-12(7,14-13-9)11(4,5)6/h8H,1-7H3
InChIKeyDLZVFZKQMWQKTJ-UHFFFAOYSA-N
XLogP4.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-ditert-butyl-3-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-3-methylpyrazole?
The IUPAC name of 3,5-ditert-butyl-3-methylpyrazole (CID 174433666) is 3,5-ditert-butyl-3-methylpyrazole.
What is the SMILES notation for 3,5-ditert-butyl-3-methylpyrazole?
The canonical SMILES for 3,5-ditert-butyl-3-methylpyrazole is CC(C)(C)C1=CC(C)(C(C)(C)C)N=N1.
What is the InChIKey of 3,5-ditert-butyl-3-methylpyrazole?
The InChIKey is DLZVFZKQMWQKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2,3)9-8-12(7,14-13-9)11(4,5)6/h8H,1-7H3.
What are the key properties of 3,5-ditert-butyl-3-methylpyrazole?
3,5-ditert-butyl-3-methylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-3-methylpyrazole is sourced from PubChem (CID 174433666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).