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

C19H15ClN4 — CID 5188035

IUPAC4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4ccc(Cl)cc4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H15ClN4/c1-12-3-9-16(10-4-12)24-11-17-18(23-24)13(2)21-22-19(17)14-5-7-15(20)8-6-14/h3-11H,1-2H3
InChIKeyLPFIHJGBLGVTNU-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.75
Rot. Bonds2

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

4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 5188035) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID5188035
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4ccc(Cl)cc4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H15ClN4/c1-12-3-9-16(10-4-12)24-11-17-18(23-24)13(2)21-22-19(17)14-5-7-15(20)8-6-14/h3-11H,1-2H3
InChIKeyLPFIHJGBLGVTNU-UHFFFAOYSA-N
XLogP4.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fauc 113
CID 10404144
(E)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5344074
Dibutyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 9909978
Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-pentyl-amine
CID 10388138
1-[[5-(4-Chloro-2-fluorophenyl)-2-pyridinyl]methyl]benzotriazole
CID 155519836
1-[[6-(4-Chloro-2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155540333
1-[[6-(4-Chlorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155546950
7-chloro-3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 848986
7-chloro-3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazine
CID 848987
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
5-Methyl-7-(dipropylamino)-2-methyl-3-(2,4-dichlorophenyl)pyrazolo[4,3-b]pyridine
CID 9908466
5-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166251

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (CID 5188035) is 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is Cc1ccc(-n2cc3c(-c4ccc(Cl)cc4)nnc(C)c3n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is LPFIHJGBLGVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-12-3-9-16(10-4-12)24-11-17-18(23-24)13(2)21-22-19(17)14-5-7-15(20)8-6-14/h3-11H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 334.81 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 5188035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).