4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol

C23H20N2O — CID 135409791

IUPAC4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2O/c1-2-21-22(17-13-15-20(26)16-14-17)24-25(19-11-7-4-8-12-19)23(21)18-9-5-3-6-10-18/h3-16,26H,2H2,1H3
InChIKeyAFVCAVOMLFGOQX-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.47
Rot. Bonds4

About 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol

4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol (PubChem CID 135409791) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol
PubChem CID135409791
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2O/c1-2-21-22(17-13-15-20(26)16-14-17)24-25(19-11-7-4-8-12-19)23(21)18-9-5-3-6-10-18/h3-16,26H,2H2,1H3
InChIKeyAFVCAVOMLFGOQX-UHFFFAOYSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol?
The IUPAC name of 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol (CID 135409791) is 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol?
The canonical SMILES for 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol is CCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol?
The InChIKey is AFVCAVOMLFGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-2-21-22(17-13-15-20(26)16-14-17)24-25(19-11-7-4-8-12-19)23(21)18-9-5-3-6-10-18/h3-16,26H,2H2,1H3.
What are the key properties of 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol?
4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol has a molecular weight of 340.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,5-diphenylpyrazol-3-yl)phenol is sourced from PubChem (CID 135409791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).