2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol

C19H16N4O2 — CID 137288914

IUPAC2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccccc4O)nc23)c(C)c1
InChIInChI=1S/C19H16N4O2/c1-11-9-12(25-2)7-8-13(11)17-18-19(23-22-17)20-10-15(21-18)14-5-3-4-6-16(14)24/h3-10,24H,1-2H3,(H,20,22,23)
InChIKeyQJLWCHUNAAFCDN-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.71
Rot. Bonds3

About 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol

2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol (PubChem CID 137288914) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
PubChem CID137288914
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccccc4O)nc23)c(C)c1
InChIInChI=1S/C19H16N4O2/c1-11-9-12(25-2)7-8-13(11)17-18-19(23-22-17)20-10-15(21-18)14-5-3-4-6-16(14)24/h3-10,24H,1-2H3,(H,20,22,23)
InChIKeyQJLWCHUNAAFCDN-UHFFFAOYSA-N
XLogP3.71
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 134807071
3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
CID 134806773
3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805069
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 1358031
6-(4-methoxy-2-methylphenyl)pyridin-3-ol
CID 53229332
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 22248987
2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline
CID 90667363
3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 154131553
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The IUPAC name of 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol (CID 137288914) is 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The canonical SMILES for 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol is COc1ccc(-c2[nH]nc3ncc(-c4ccccc4O)nc23)c(C)c1.
What is the InChIKey of 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The InChIKey is QJLWCHUNAAFCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-9-12(25-2)7-8-13(11)17-18-19(23-22-17)20-10-15(21-18)14-5-3-4-6-16(14)24/h3-10,24H,1-2H3,(H,20,22,23).
What are the key properties of 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol has a molecular weight of 332.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol is sourced from PubChem (CID 137288914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).