3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole

C15H20N2 — CID 58157464

IUPAC3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cn(C)nc2C(C)(C)C)cc1
InChIInChI=1S/C15H20N2/c1-11-6-8-12(9-7-11)13-10-17(5)16-14(13)15(2,3)4/h6-10H,1-5H3
InChIKeyJYHPIOFINPOCMI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.69
Rot. Bonds1

About 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole

3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole (PubChem CID 58157464) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
PubChem CID58157464
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cn(C)nc2C(C)(C)C)cc1
InChIInChI=1S/C15H20N2/c1-11-6-8-12(9-7-11)13-10-17(5)16-14(13)15(2,3)4/h6-10H,1-5H3
InChIKeyJYHPIOFINPOCMI-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole?
The IUPAC name of 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole (CID 58157464) is 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole.
What is the SMILES notation for 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole?
The canonical SMILES for 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole is Cc1ccc(-c2cn(C)nc2C(C)(C)C)cc1.
What is the InChIKey of 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole?
The InChIKey is JYHPIOFINPOCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-8-12(9-7-11)13-10-17(5)16-14(13)15(2,3)4/h6-10H,1-5H3.
What are the key properties of 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole?
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole is sourced from PubChem (CID 58157464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).