4-tert-butyl-3-ethenyl-1-methylpyrazole

C10H16N2 — CID 59860427

IUPAC4-tert-butyl-3-ethenyl-1-methylpyrazole
SMILESC=Cc1nn(C)cc1C(C)(C)C
InChIInChI=1S/C10H16N2/c1-6-9-8(10(2,3)4)7-12(5)11-9/h6-7H,1H2,2-5H3
InChIKeyODEWIGRZODFZSY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.36
Rot. Bonds1

About 4-tert-butyl-3-ethenyl-1-methylpyrazole

4-tert-butyl-3-ethenyl-1-methylpyrazole (PubChem CID 59860427) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-tert-butyl-3-ethenyl-1-methylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-3-ethenyl-1-methylpyrazole
PubChem CID59860427
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-tert-butyl-3-ethenyl-1-methylpyrazole
SMILESC=Cc1nn(C)cc1C(C)(C)C
InChIInChI=1S/C10H16N2/c1-6-9-8(10(2,3)4)7-12(5)11-9/h6-7H,1H2,2-5H3
InChIKeyODEWIGRZODFZSY-UHFFFAOYSA-N
XLogP2.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-3-ethenyl-1-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 4-tert-butyl-3-ethenyl-1-methylpyrazole?
The IUPAC name of 4-tert-butyl-3-ethenyl-1-methylpyrazole (CID 59860427) is 4-tert-butyl-3-ethenyl-1-methylpyrazole.
What is the SMILES notation for 4-tert-butyl-3-ethenyl-1-methylpyrazole?
The canonical SMILES for 4-tert-butyl-3-ethenyl-1-methylpyrazole is C=Cc1nn(C)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-ethenyl-1-methylpyrazole?
The InChIKey is ODEWIGRZODFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-9-8(10(2,3)4)7-12(5)11-9/h6-7H,1H2,2-5H3.
What are the key properties of 4-tert-butyl-3-ethenyl-1-methylpyrazole?
4-tert-butyl-3-ethenyl-1-methylpyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-ethenyl-1-methylpyrazole is sourced from PubChem (CID 59860427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).