4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine

C19H14ClFN4 — CID 168745591

IUPAC4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine
SMILESCc1ccc(-c2nnc3c(c(-c4ccc(F)cc4)nn3C)c2Cl)cc1
InChIInChI=1S/C19H14ClFN4/c1-11-3-5-13(6-4-11)18-16(20)15-17(12-7-9-14(21)10-8-12)24-25(2)19(15)23-22-18/h3-10H,1-2H3
InChIKeyIMTODNYZXKOPDR-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.80
Rot. Bonds2

About 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine

4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine (PubChem CID 168745591) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine
PubChem CID168745591
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC Name4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine
SMILESCc1ccc(-c2nnc3c(c(-c4ccc(F)cc4)nn3C)c2Cl)cc1
InChIInChI=1S/C19H14ClFN4/c1-11-3-5-13(6-4-11)18-16(20)15-17(12-7-9-14(21)10-8-12)24-25(2)19(15)23-22-18/h3-10H,1-2H3
InChIKeyIMTODNYZXKOPDR-UHFFFAOYSA-N
XLogP4.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine (CID 168745591) is 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine is Cc1ccc(-c2nnc3c(c(-c4ccc(F)cc4)nn3C)c2Cl)cc1.
What is the InChIKey of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine?
The InChIKey is IMTODNYZXKOPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4/c1-11-3-5-13(6-4-11)18-16(20)15-17(12-7-9-14(21)10-8-12)24-25(2)19(15)23-22-18/h3-10H,1-2H3.
What are the key properties of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine?
4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine has a molecular weight of 352.80 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 168745591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).