3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole

C26H26N2 — CID 102338518

IUPAC3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H26N2/c1-19-10-12-21(13-11-19)25-18-24(27-28(25)23-8-6-5-7-9-23)20-14-16-22(17-15-20)26(2,3)4/h5-18H,1-4H3
InChIKeyCZLFXFLGXPRCNP-UHFFFAOYSA-N
MW366.51 g/mol
LogP6.81
Rot. Bonds3

About 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole

3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole (PubChem CID 102338518) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
PubChem CID102338518
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H26N2/c1-19-10-12-21(13-11-19)25-18-24(27-28(25)23-8-6-5-7-9-23)20-14-16-22(17-15-20)26(2,3)4/h5-18H,1-4H3
InChIKeyCZLFXFLGXPRCNP-UHFFFAOYSA-N
XLogP6.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole (CID 102338518) is 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole is Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole?
The InChIKey is CZLFXFLGXPRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c1-19-10-12-21(13-11-19)25-18-24(27-28(25)23-8-6-5-7-9-23)20-14-16-22(17-15-20)26(2,3)4/h5-18H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole?
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole has a molecular weight of 366.51 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 102338518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).