3-methyl-1,5-diphenylpyrazole

C16H14N2 — CID 5191592

IUPAC3-methyl-1,5-diphenylpyrazole
SMILESCc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14N2/c1-13-12-16(14-8-4-2-5-9-14)18(17-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyYHKSOEKUCNSKLN-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.85
Rot. Bonds2

About 3-methyl-1,5-diphenylpyrazole

3-methyl-1,5-diphenylpyrazole (PubChem CID 5191592) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-1,5-diphenylpyrazole.

Molecular Properties

Compound Name3-methyl-1,5-diphenylpyrazole
PubChem CID5191592
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-methyl-1,5-diphenylpyrazole
SMILESCc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14N2/c1-13-12-16(14-8-4-2-5-9-14)18(17-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyYHKSOEKUCNSKLN-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenylpyrazole?
The IUPAC name of 3-methyl-1,5-diphenylpyrazole (CID 5191592) is 3-methyl-1,5-diphenylpyrazole.
What is the SMILES notation for 3-methyl-1,5-diphenylpyrazole?
The canonical SMILES for 3-methyl-1,5-diphenylpyrazole is Cc1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-1,5-diphenylpyrazole?
The InChIKey is YHKSOEKUCNSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-13-12-16(14-8-4-2-5-9-14)18(17-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 3-methyl-1,5-diphenylpyrazole?
3-methyl-1,5-diphenylpyrazole has a molecular weight of 234.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenylpyrazole is sourced from PubChem (CID 5191592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).