1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole

C16H22N2 — CID 176746604

IUPAC1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(C(C)(C)C)cc1-n1cccn1
InChIInChI=1S/C16H22N2/c1-12(2)14-8-7-13(16(3,4)5)11-15(14)18-10-6-9-17-18/h6-12H,1-5H3
InChIKeyJRLZSKZUDHEZDY-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.29
Rot. Bonds2

About 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole

1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole (PubChem CID 176746604) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole
PubChem CID176746604
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(C(C)(C)C)cc1-n1cccn1
InChIInChI=1S/C16H22N2/c1-12(2)14-8-7-13(16(3,4)5)11-15(14)18-10-6-9-17-18/h6-12H,1-5H3
InChIKeyJRLZSKZUDHEZDY-UHFFFAOYSA-N
XLogP4.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole?
The IUPAC name of 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole (CID 176746604) is 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole is CC(C)c1ccc(C(C)(C)C)cc1-n1cccn1.
What is the InChIKey of 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole?
The InChIKey is JRLZSKZUDHEZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(2)14-8-7-13(16(3,4)5)11-15(14)18-10-6-9-17-18/h6-12H,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole?
1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole has a molecular weight of 242.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 176746604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).