1-ethyl-3,5-diphenylpyrazole

C17H16N2 — CID 12665793

IUPAC1-ethyl-3,5-diphenylpyrazole
SMILESCCn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H16N2/c1-2-19-17(15-11-7-4-8-12-15)13-16(18-19)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyUPEATHOVVHJJNI-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.24
Rot. Bonds3

About 1-ethyl-3,5-diphenylpyrazole

1-ethyl-3,5-diphenylpyrazole (PubChem CID 12665793) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-ethyl-3,5-diphenylpyrazole.

Molecular Properties

Compound Name1-ethyl-3,5-diphenylpyrazole
PubChem CID12665793
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-ethyl-3,5-diphenylpyrazole
SMILESCCn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H16N2/c1-2-19-17(15-11-7-4-8-12-15)13-16(18-19)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyUPEATHOVVHJJNI-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-diphenylpyrazole?
The IUPAC name of 1-ethyl-3,5-diphenylpyrazole (CID 12665793) is 1-ethyl-3,5-diphenylpyrazole.
What is the SMILES notation for 1-ethyl-3,5-diphenylpyrazole?
The canonical SMILES for 1-ethyl-3,5-diphenylpyrazole is CCn1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-ethyl-3,5-diphenylpyrazole?
The InChIKey is UPEATHOVVHJJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-19-17(15-11-7-4-8-12-15)13-16(18-19)14-9-5-3-6-10-14/h3-13H,2H2,1H3.
What are the key properties of 1-ethyl-3,5-diphenylpyrazole?
1-ethyl-3,5-diphenylpyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-diphenylpyrazole is sourced from PubChem (CID 12665793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).