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

C18H13ClN4 — CID 5143845

IUPAC4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(Cl)cc2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H13ClN4/c1-12-17-16(11-23(22-17)15-5-3-2-4-6-15)18(21-20-12)13-7-9-14(19)10-8-13/h2-11H,1H3
InChIKeyJTIDGCJITBMBGH-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.44
Rot. Bonds2

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

4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 5143845) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
PubChem CID5143845
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(Cl)cc2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H13ClN4/c1-12-17-16(11-23(22-17)15-5-3-2-4-6-15)18(21-20-12)13-7-9-14(19)10-8-13/h2-11H,1H3
InChIKeyJTIDGCJITBMBGH-UHFFFAOYSA-N
XLogP4.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.44
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
Cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-hexyl-amine
CID 44341921
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine (CID 5143845) is 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine is Cc1nnc(-c2ccc(Cl)cc2)c2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is JTIDGCJITBMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c1-12-17-16(11-23(22-17)15-5-3-2-4-6-15)18(21-20-12)13-7-9-14(19)10-8-13/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
4-(4-chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 320.78 g/mol, XLogP of 4.44, 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-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 5143845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).