1-benzyl-4-phenylpyrazole

C16H14N2 — CID 42628228

IUPAC1-benzyl-4-phenylpyrazole
SMILESc1ccc(Cn2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-14(8-4-1)12-18-13-16(11-17-18)15-9-5-2-6-10-15/h1-11,13H,12H2
InChIKeyUKSRZAPCPDTVNR-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.60
Rot. Bonds3

About 1-benzyl-4-phenylpyrazole

1-benzyl-4-phenylpyrazole (PubChem CID 42628228) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-benzyl-4-phenylpyrazole.

Molecular Properties

Compound Name1-benzyl-4-phenylpyrazole
PubChem CID42628228
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-benzyl-4-phenylpyrazole
SMILESc1ccc(Cn2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-14(8-4-1)12-18-13-16(11-17-18)15-9-5-2-6-10-15/h1-11,13H,12H2
InChIKeyUKSRZAPCPDTVNR-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylpyrazole?
The IUPAC name of 1-benzyl-4-phenylpyrazole (CID 42628228) is 1-benzyl-4-phenylpyrazole.
What is the SMILES notation for 1-benzyl-4-phenylpyrazole?
The canonical SMILES for 1-benzyl-4-phenylpyrazole is c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-phenylpyrazole?
The InChIKey is UKSRZAPCPDTVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-7-14(8-4-1)12-18-13-16(11-17-18)15-9-5-2-6-10-15/h1-11,13H,12H2.
What are the key properties of 1-benzyl-4-phenylpyrazole?
1-benzyl-4-phenylpyrazole has a molecular weight of 234.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylpyrazole is sourced from PubChem (CID 42628228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).