3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine

C18H14N4 — CID 14067721

IUPAC3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N4/c1-13-17-18(22(21-13)15-10-6-3-7-11-15)20-16(12-19-17)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyQLNYVDNJQNSGTH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine

3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine (PubChem CID 14067721) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
PubChem CID14067721
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N4/c1-13-17-18(22(21-13)15-10-6-3-7-11-15)20-16(12-19-17)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyQLNYVDNJQNSGTH-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
2-[(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)amino]ethanol
CID 13290926
7-methyl-5-phenyl-3-piperidin-1-ylpyrazolo[5,4-e][1,2,4]triazine
CID 13290929
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
3-methyl-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247551
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
CID 71652871
2-methoxy-3-methyl-5-phenylpyrazine
CID 13123634

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine (CID 14067721) is 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cnc12.
What is the InChIKey of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
The InChIKey is QLNYVDNJQNSGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-17-18(22(21-13)15-10-6-3-7-11-15)20-16(12-19-17)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 14067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).