4-ethyl-3-methyl-1,5-diphenylpyrazole

C18H18N2 — CID 5327637

IUPAC4-ethyl-3-methyl-1,5-diphenylpyrazole
SMILESCCc1c(C)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H18N2/c1-3-17-14(2)19-20(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKeyDUMYSQKMPCEFCT-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.41
Rot. Bonds3

About 4-ethyl-3-methyl-1,5-diphenylpyrazole

4-ethyl-3-methyl-1,5-diphenylpyrazole (PubChem CID 5327637) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1,5-diphenylpyrazole.

Molecular Properties

Compound Name4-ethyl-3-methyl-1,5-diphenylpyrazole
PubChem CID5327637
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-ethyl-3-methyl-1,5-diphenylpyrazole
SMILESCCc1c(C)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H18N2/c1-3-17-14(2)19-20(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKeyDUMYSQKMPCEFCT-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-1,5-diphenylpyrazole?
The IUPAC name of 4-ethyl-3-methyl-1,5-diphenylpyrazole (CID 5327637) is 4-ethyl-3-methyl-1,5-diphenylpyrazole.
What is the SMILES notation for 4-ethyl-3-methyl-1,5-diphenylpyrazole?
The canonical SMILES for 4-ethyl-3-methyl-1,5-diphenylpyrazole is CCc1c(C)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-ethyl-3-methyl-1,5-diphenylpyrazole?
The InChIKey is DUMYSQKMPCEFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-17-14(2)19-20(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-1,5-diphenylpyrazole?
4-ethyl-3-methyl-1,5-diphenylpyrazole has a molecular weight of 262.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1,5-diphenylpyrazole is sourced from PubChem (CID 5327637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).