7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

C14H13ClN4 — CID 848987

IUPAC7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1
InChIInChI=1S/C14H13ClN4/c1-8-4-6-11(7-5-8)19-10(3)12-9(2)16-17-14(15)13(12)18-19/h4-7H,1-3H3
InChIKeySZLBIMKHSBAFMI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.39
Rot. Bonds1

About 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 848987) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID848987
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1
InChIInChI=1S/C14H13ClN4/c1-8-4-6-11(7-5-8)19-10(3)12-9(2)16-17-14(15)13(12)18-19/h4-7H,1-3H3
InChIKeySZLBIMKHSBAFMI-UHFFFAOYSA-N
XLogP3.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (CID 848987) is 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is Cc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1.
What is the InChIKey of 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is SZLBIMKHSBAFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-8-4-6-11(7-5-8)19-10(3)12-9(2)16-17-14(15)13(12)18-19/h4-7H,1-3H3.
What are the key properties of 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 272.74 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 848987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).