4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol

C23H20N2O3 — CID 135484591

IUPAC4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C23H20N2O3/c1-2-21-22(15-3-9-18(26)10-4-15)24-25(17-7-13-20(28)14-8-17)23(21)16-5-11-19(27)12-6-16/h3-14,26-28H,2H2,1H3
InChIKeyNTZHVNBCKZNRHS-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.89
Rot. Bonds4

About 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol

4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol (PubChem CID 135484591) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol
PubChem CID135484591
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C23H20N2O3/c1-2-21-22(15-3-9-18(26)10-4-15)24-25(17-7-13-20(28)14-8-17)23(21)16-5-11-19(27)12-6-16/h3-14,26-28H,2H2,1H3
InChIKeyNTZHVNBCKZNRHS-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol (CID 135484591) is 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol is CCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol?
The InChIKey is NTZHVNBCKZNRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-21-22(15-3-9-18(26)10-4-15)24-25(17-7-13-20(28)14-8-17)23(21)16-5-11-19(27)12-6-16/h3-14,26-28H,2H2,1H3.
What are the key properties of 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol?
4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol has a molecular weight of 372.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 135484591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).