3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole

C17H15N5O — CID 134809755

IUPAC3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3c(C)noc3C)nc12
InChIInChI=1S/C17H15N5O/c1-9-6-4-5-7-12(9)15-16-17(21-20-15)18-8-13(19-16)14-10(2)22-23-11(14)3/h4-8H,1-3H3,(H,18,20,21)
InChIKeyUYJGOALQXPWCJT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.60
Rot. Bonds2

About 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole

3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole (PubChem CID 134809755) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole
PubChem CID134809755
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3c(C)noc3C)nc12
InChIInChI=1S/C17H15N5O/c1-9-6-4-5-7-12(9)15-16-17(21-20-15)18-8-13(19-16)14-10(2)22-23-11(14)3/h4-8H,1-3H3,(H,18,20,21)
InChIKeyUYJGOALQXPWCJT-UHFFFAOYSA-N
XLogP3.60
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole (CID 134809755) is 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole is Cc1ccccc1-c1[nH]nc2ncc(-c3c(C)noc3C)nc12.
What is the InChIKey of 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole?
The InChIKey is UYJGOALQXPWCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-9-6-4-5-7-12(9)15-16-17(21-20-15)18-8-13(19-16)14-10(2)22-23-11(14)3/h4-8H,1-3H3,(H,18,20,21).
What are the key properties of 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole has a molecular weight of 305.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole is sourced from PubChem (CID 134809755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).