4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol

C24H22N2O2 — CID 135494350

IUPAC4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C24H22N2O2/c1-2-6-22-23(17-9-13-20(27)14-10-17)25-26(19-7-4-3-5-8-19)24(22)18-11-15-21(28)16-12-18/h3-5,7-16,27-28H,2,6H2,1H3
InChIKeyRBPCYNVLBMIKAJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.57
Rot. Bonds5

About 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol

4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol (PubChem CID 135494350) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol
PubChem CID135494350
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C24H22N2O2/c1-2-6-22-23(17-9-13-20(27)14-10-17)25-26(19-7-4-3-5-8-19)24(22)18-11-15-21(28)16-12-18/h3-5,7-16,27-28H,2,6H2,1H3
InChIKeyRBPCYNVLBMIKAJ-UHFFFAOYSA-N
XLogP5.57
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol (CID 135494350) is 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol is CCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol?
The InChIKey is RBPCYNVLBMIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-6-22-23(17-9-13-20(27)14-10-17)25-26(19-7-4-3-5-8-19)24(22)18-11-15-21(28)16-12-18/h3-5,7-16,27-28H,2,6H2,1H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol?
4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol has a molecular weight of 370.45 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol is sourced from PubChem (CID 135494350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).