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

C18H14N4O — CID 137288930

IUPAC2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3ccccc3O)nc12
InChIInChI=1S/C18H14N4O/c1-11-6-2-3-7-12(11)16-17-18(22-21-16)19-10-14(20-17)13-8-4-5-9-15(13)23/h2-10,23H,1H3,(H,19,21,22)
InChIKeyAWBQUUTUONGDNF-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.70
Rot. Bonds2

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

2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol (PubChem CID 137288930) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
PubChem CID137288930
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3ccccc3O)nc12
InChIInChI=1S/C18H14N4O/c1-11-6-2-3-7-12(11)16-17-18(22-21-16)19-10-14(20-17)13-8-4-5-9-15(13)23/h2-10,23H,1H3,(H,19,21,22)
InChIKeyAWBQUUTUONGDNF-UHFFFAOYSA-N
XLogP3.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The IUPAC name of 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol (CID 137288930) is 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol.
What is the SMILES notation for 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The canonical SMILES for 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol is Cc1ccccc1-c1[nH]nc2ncc(-c3ccccc3O)nc12.
What is the InChIKey of 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The InChIKey is AWBQUUTUONGDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-11-6-2-3-7-12(11)16-17-18(22-21-16)19-10-14(20-17)13-8-4-5-9-15(13)23/h2-10,23H,1H3,(H,19,21,22).
What are the key properties of 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol is sourced from PubChem (CID 137288930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).