3-methyl-3,5-diphenylpyrazole

C16H14N2 — CID 605788

IUPAC3-methyl-3,5-diphenylpyrazole
SMILESCC1(c2ccccc2)C=C(c2ccccc2)N=N1
InChIInChI=1S/C16H14N2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyBIJSHZAXMRASAK-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.41
Rot. Bonds2

About 3-methyl-3,5-diphenylpyrazole

3-methyl-3,5-diphenylpyrazole (PubChem CID 605788) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-3,5-diphenylpyrazole.

Molecular Properties

Compound Name3-methyl-3,5-diphenylpyrazole
PubChem CID605788
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-methyl-3,5-diphenylpyrazole
SMILESCC1(c2ccccc2)C=C(c2ccccc2)N=N1
InChIInChI=1S/C16H14N2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyBIJSHZAXMRASAK-UHFFFAOYSA-N
XLogP4.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,5-diphenylpyrazole?
The IUPAC name of 3-methyl-3,5-diphenylpyrazole (CID 605788) is 3-methyl-3,5-diphenylpyrazole.
What is the SMILES notation for 3-methyl-3,5-diphenylpyrazole?
The canonical SMILES for 3-methyl-3,5-diphenylpyrazole is CC1(c2ccccc2)C=C(c2ccccc2)N=N1.
What is the InChIKey of 3-methyl-3,5-diphenylpyrazole?
The InChIKey is BIJSHZAXMRASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h2-12H,1H3.
What are the key properties of 3-methyl-3,5-diphenylpyrazole?
3-methyl-3,5-diphenylpyrazole has a molecular weight of 234.30 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,5-diphenylpyrazole is sourced from PubChem (CID 605788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).