4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol

C17H16N2O3 — CID 136801462

IUPAC4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3cccc(O)c3)nn2C)ccc1O
InChIInChI=1S/C17H16N2O3/c1-19-15(12-6-7-16(21)17(9-12)22-2)10-14(18-19)11-4-3-5-13(20)8-11/h3-10,20-21H,1-2H3
InChIKeyAXAFXLBNNSCCNH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.17
Rot. Bonds3

About 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol

4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol (PubChem CID 136801462) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol
PubChem CID136801462
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3cccc(O)c3)nn2C)ccc1O
InChIInChI=1S/C17H16N2O3/c1-19-15(12-6-7-16(21)17(9-12)22-2)10-14(18-19)11-4-3-5-13(20)8-11/h3-10,20-21H,1-2H3
InChIKeyAXAFXLBNNSCCNH-UHFFFAOYSA-N
XLogP3.17
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-ethoxy-4-[5-(4-hydroxy-3-methoxyphenyl)-1-methylpyrazol-3-yl]phenol
CID 136801461
4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol
CID 136801480
1-[4-[5-(4-hydroxy-3-methoxyphenyl)-1-methylpyrazol-3-yl]phenyl]pyrrolidin-2-one
CID 136801460
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 22104457
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
CID 134456084
4-(4-hydroxy-3-methoxyphenyl)-1-methylpyridin-2-one
CID 15429190
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162657063
3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol
CID 105486880

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol (CID 136801462) is 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol is COc1cc(-c2cc(-c3cccc(O)c3)nn2C)ccc1O.
What is the InChIKey of 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol?
The InChIKey is AXAFXLBNNSCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-15(12-6-7-16(21)17(9-12)22-2)10-14(18-19)11-4-3-5-13(20)8-11/h3-10,20-21H,1-2H3.
What are the key properties of 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol?
4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol has a molecular weight of 296.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 136801462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).