7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine

C19H16N4 — CID 15359842

IUPAC7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4ccccc4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H16N4/c1-13-8-10-16(11-9-13)23-12-17-18(22-23)14(2)20-21-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyTVORTTWECRYBQS-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.10
Rot. Bonds2

About 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine

7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 15359842) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine
PubChem CID15359842
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4ccccc4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H16N4/c1-13-8-10-16(11-9-13)23-12-17-18(22-23)14(2)20-21-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyTVORTTWECRYBQS-UHFFFAOYSA-N
XLogP4.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine (CID 15359842) is 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine is Cc1ccc(-n2cc3c(-c4ccccc4)nnc(C)c3n2)cc1.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is TVORTTWECRYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-8-10-16(11-9-13)23-12-17-18(22-23)14(2)20-21-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine?
7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 300.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylphenyl)-4-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 15359842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).