1-benzyl-3,4-diphenylpyrazole

C22H18N2 — CID 151761837

IUPAC1-benzyl-3,4-diphenylpyrazole
SMILESc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N2/c1-4-10-18(11-5-1)16-24-17-21(19-12-6-2-7-13-19)22(23-24)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyRQSNWHNFKBQCAK-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.27
Rot. Bonds4

About 1-benzyl-3,4-diphenylpyrazole

1-benzyl-3,4-diphenylpyrazole (PubChem CID 151761837) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-3,4-diphenylpyrazole.

Molecular Properties

Compound Name1-benzyl-3,4-diphenylpyrazole
PubChem CID151761837
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-benzyl-3,4-diphenylpyrazole
SMILESc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N2/c1-4-10-18(11-5-1)16-24-17-21(19-12-6-2-7-13-19)22(23-24)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyRQSNWHNFKBQCAK-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-diphenylpyrazole?
The IUPAC name of 1-benzyl-3,4-diphenylpyrazole (CID 151761837) is 1-benzyl-3,4-diphenylpyrazole.
What is the SMILES notation for 1-benzyl-3,4-diphenylpyrazole?
The canonical SMILES for 1-benzyl-3,4-diphenylpyrazole is c1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-benzyl-3,4-diphenylpyrazole?
The InChIKey is RQSNWHNFKBQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-4-10-18(11-5-1)16-24-17-21(19-12-6-2-7-13-19)22(23-24)20-14-8-3-9-15-20/h1-15,17H,16H2.
What are the key properties of 1-benzyl-3,4-diphenylpyrazole?
1-benzyl-3,4-diphenylpyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-diphenylpyrazole is sourced from PubChem (CID 151761837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).