1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole

C30H26N2O — CID 56589754

IUPAC1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
SMILESCOc1ccc(-n2nc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H26N2O/c1-21-9-13-24(14-10-21)29-28(23-7-5-4-6-8-23)30(25-15-11-22(2)12-16-25)32(31-29)26-17-19-27(33-3)20-18-26/h4-20H,1-3H3
InChIKeyKAGADSOKFAIVIZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.50
Rot. Bonds5

About 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole

1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole (PubChem CID 56589754) has the molecular formula C30H26N2O and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
PubChem CID56589754
Molecular FormulaC30H26N2O
Molecular Weight430.55 g/mol
Exact Mass430.20
IUPAC Name1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
SMILESCOc1ccc(-n2nc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H26N2O/c1-21-9-13-24(14-10-21)29-28(23-7-5-4-6-8-23)30(25-15-11-22(2)12-16-25)32(31-29)26-17-19-27(33-3)20-18-26/h4-20H,1-3H3
InChIKeyKAGADSOKFAIVIZ-UHFFFAOYSA-N
XLogP7.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole (CID 56589754) is 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole is COc1ccc(-n2nc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole?
The InChIKey is KAGADSOKFAIVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O/c1-21-9-13-24(14-10-21)29-28(23-7-5-4-6-8-23)30(25-15-11-22(2)12-16-25)32(31-29)26-17-19-27(33-3)20-18-26/h4-20H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole?
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole has a molecular weight of 430.55 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole is sourced from PubChem (CID 56589754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).