5-benzyl-1-phenylpyrazole

C16H14N2 — CID 14003889

IUPAC5-benzyl-1-phenylpyrazole
SMILESc1ccc(Cc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-14(8-4-1)13-16-11-12-17-18(16)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeySPSQKEPVCQZHSB-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.46
Rot. Bonds3

About 5-benzyl-1-phenylpyrazole

5-benzyl-1-phenylpyrazole (PubChem CID 14003889) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-benzyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-benzyl-1-phenylpyrazole
PubChem CID14003889
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-benzyl-1-phenylpyrazole
SMILESc1ccc(Cc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-14(8-4-1)13-16-11-12-17-18(16)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeySPSQKEPVCQZHSB-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-phenylpyrazole?
The IUPAC name of 5-benzyl-1-phenylpyrazole (CID 14003889) is 5-benzyl-1-phenylpyrazole.
What is the SMILES notation for 5-benzyl-1-phenylpyrazole?
The canonical SMILES for 5-benzyl-1-phenylpyrazole is c1ccc(Cc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 5-benzyl-1-phenylpyrazole?
The InChIKey is SPSQKEPVCQZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-7-14(8-4-1)13-16-11-12-17-18(16)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 5-benzyl-1-phenylpyrazole?
5-benzyl-1-phenylpyrazole has a molecular weight of 234.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-phenylpyrazole is sourced from PubChem (CID 14003889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).