4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine

C19H15ClN4O — CID 66576557

IUPAC4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCOc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1
InChIInChI=1S/C19H15ClN4O/c1-24-19-15(17(23-24)13-9-6-10-14(11-13)25-2)16(20)18(21-22-19)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyYPGICKQBHZXCCV-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.36
Rot. Bonds3

About 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine

4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 66576557) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine
PubChem CID66576557
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCOc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1
InChIInChI=1S/C19H15ClN4O/c1-24-19-15(17(23-24)13-9-6-10-14(11-13)25-2)16(20)18(21-22-19)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyYPGICKQBHZXCCV-UHFFFAOYSA-N
XLogP4.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine (CID 66576557) is 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine is COc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.
What is the InChIKey of 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is YPGICKQBHZXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-24-19-15(17(23-24)13-9-6-10-14(11-13)25-2)16(20)18(21-22-19)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 350.81 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 66576557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).