3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol

C20H16N2O2 — CID 140905318

IUPAC3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
SMILESOCc1ccc(-c2cn3c(-c4cccc(O)c4)ccc3cn2)cc1
InChIInChI=1S/C20H16N2O2/c23-13-14-4-6-15(7-5-14)19-12-22-17(11-21-19)8-9-20(22)16-2-1-3-18(24)10-16/h1-12,23-24H,13H2
InChIKeyXUZLZXYVERZDES-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.87
Rot. Bonds3

About 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol

3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 140905318) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
PubChem CID140905318
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
SMILESOCc1ccc(-c2cn3c(-c4cccc(O)c4)ccc3cn2)cc1
InChIInChI=1S/C20H16N2O2/c23-13-14-4-6-15(7-5-14)19-12-22-17(11-21-19)8-9-20(22)16-2-1-3-18(24)10-16/h1-12,23-24H,13H2
InChIKeyXUZLZXYVERZDES-UHFFFAOYSA-N
XLogP3.87
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol
CID 134543947
[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 126672892
3-(6-thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 126672810
6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine
CID 122205726
[4-(1-methylimidazol-4-yl)phenyl]methanol
CID 142503697
N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 126672927
3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 84690404
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
[4-(6-phenylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 126672911
3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117142200
[4-(2-imidazo[1,5-a]pyridin-5-ylethyl)phenyl]methanol
CID 23321861
[4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155546710

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol (CID 140905318) is 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol is OCc1ccc(-c2cn3c(-c4cccc(O)c4)ccc3cn2)cc1.
What is the InChIKey of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is XUZLZXYVERZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-13-14-4-6-15(7-5-14)19-12-22-17(11-21-19)8-9-20(22)16-2-1-3-18(24)10-16/h1-12,23-24H,13H2.
What are the key properties of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 140905318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).