3,4-dimethyl-1,5-diphenylpyrazole

C17H16N2 — CID 10800584

IUPAC3,4-dimethyl-1,5-diphenylpyrazole
SMILESCc1nn(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C17H16N2/c1-13-14(2)18-19(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyXSRZEAAYCKNXJZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.16
Rot. Bonds2

About 3,4-dimethyl-1,5-diphenylpyrazole

3,4-dimethyl-1,5-diphenylpyrazole (PubChem CID 10800584) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,4-dimethyl-1,5-diphenylpyrazole.

Molecular Properties

Compound Name3,4-dimethyl-1,5-diphenylpyrazole
PubChem CID10800584
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3,4-dimethyl-1,5-diphenylpyrazole
SMILESCc1nn(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C17H16N2/c1-13-14(2)18-19(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyXSRZEAAYCKNXJZ-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,5-diphenylpyrazole?
The IUPAC name of 3,4-dimethyl-1,5-diphenylpyrazole (CID 10800584) is 3,4-dimethyl-1,5-diphenylpyrazole.
What is the SMILES notation for 3,4-dimethyl-1,5-diphenylpyrazole?
The canonical SMILES for 3,4-dimethyl-1,5-diphenylpyrazole is Cc1nn(-c2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of 3,4-dimethyl-1,5-diphenylpyrazole?
The InChIKey is XSRZEAAYCKNXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-14(2)18-19(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3-12H,1-2H3.
What are the key properties of 3,4-dimethyl-1,5-diphenylpyrazole?
3,4-dimethyl-1,5-diphenylpyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,5-diphenylpyrazole is sourced from PubChem (CID 10800584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).