3,5-ditert-butyl-1-(4-methylphenyl)pyrazole

C18H26N2 — CID 23570444

IUPAC3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1
InChIInChI=1S/C18H26N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4/h8-12H,1-7H3
InChIKeyJNCPDIQVTWARDH-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.78
Rot. Bonds1

About 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole

3,5-ditert-butyl-1-(4-methylphenyl)pyrazole (PubChem CID 23570444) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
PubChem CID23570444
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1
InChIInChI=1S/C18H26N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4/h8-12H,1-7H3
InChIKeyJNCPDIQVTWARDH-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole?
The IUPAC name of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole (CID 23570444) is 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.
What is the InChIKey of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole?
The InChIKey is JNCPDIQVTWARDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4/h8-12H,1-7H3.
What are the key properties of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole?
3,5-ditert-butyl-1-(4-methylphenyl)pyrazole has a molecular weight of 270.42 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 23570444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).