4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole

C21H20N4 — CID 4885487

IUPAC4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H20N4/c1-14-18(15(2)25(3)24-14)21-22-19(16-10-6-4-7-11-16)20(23-21)17-12-8-5-9-13-17/h4-13H,1-3H3,(H,22,23)
InChIKeyNUBUBNOTJJRGMF-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.76
Rot. Bonds3

About 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole

4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole (PubChem CID 4885487) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole
PubChem CID4885487
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H20N4/c1-14-18(15(2)25(3)24-14)21-22-19(16-10-6-4-7-11-16)20(23-21)17-12-8-5-9-13-17/h4-13H,1-3H3,(H,22,23)
InChIKeyNUBUBNOTJJRGMF-UHFFFAOYSA-N
XLogP4.76
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole (CID 4885487) is 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole?
The InChIKey is NUBUBNOTJJRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-18(15(2)25(3)24-14)21-22-19(16-10-6-4-7-11-16)20(23-21)17-12-8-5-9-13-17/h4-13H,1-3H3,(H,22,23).
What are the key properties of 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole?
4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole has a molecular weight of 328.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 4885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).