5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole

C18H16N2 — CID 144542930

IUPAC5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole
SMILESC=Cc1cccc(-c2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C18H16N2/c1-3-15-8-7-9-16(13-15)18-12-14(2)19-20(18)17-10-5-4-6-11-17/h3-13H,1H2,2H3
InChIKeyGTGOQJGKNBPKCJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.49
Rot. Bonds3

About 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole

5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole (PubChem CID 144542930) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole
PubChem CID144542930
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole
SMILESC=Cc1cccc(-c2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C18H16N2/c1-3-15-8-7-9-16(13-15)18-12-14(2)19-20(18)17-10-5-4-6-11-17/h3-13H,1H2,2H3
InChIKeyGTGOQJGKNBPKCJ-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole (CID 144542930) is 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole is C=Cc1cccc(-c2cc(C)nn2-c2ccccc2)c1.
What is the InChIKey of 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole?
The InChIKey is GTGOQJGKNBPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-15-8-7-9-16(13-15)18-12-14(2)19-20(18)17-10-5-4-6-11-17/h3-13H,1H2,2H3.
What are the key properties of 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole?
5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole has a molecular weight of 260.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 144542930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).