7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

C14H13ClN4O — CID 134576891

IUPAC7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccccc1-n1nc2c(Cl)nnc(C)c2c1C
InChIInChI=1S/C14H13ClN4O/c1-8-12-9(2)19(18-13(12)14(15)17-16-8)10-6-4-5-7-11(10)20-3/h4-7H,1-3H3
InChIKeyPNAHYRSNEYFVFS-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.09
Rot. Bonds2

About 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 134576891) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID134576891
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccccc1-n1nc2c(Cl)nnc(C)c2c1C
InChIInChI=1S/C14H13ClN4O/c1-8-12-9(2)19(18-13(12)14(15)17-16-8)10-6-4-5-7-11(10)20-3/h4-7H,1-3H3
InChIKeyPNAHYRSNEYFVFS-UHFFFAOYSA-N
XLogP3.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(4-ethoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 848991
2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 1234296
7-Chloro-2-(4-ethoxyphenyl)-3,4-diphenylpyrazolo[3,4-d]pyridazine
CID 1817362
6-(2-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10424606
2-(3-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 848994
2-(3-methoxyphenyl)-3,4,7-trimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 17635106
6-(2-Methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 804403
7-Chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 134564624
7-Chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 151713784
6-Chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine
CID 170553761
1-(2-Fluoro-6-methoxyphenyl)pyrazolo[5,4-c]pyridine
CID 175820207
7-Chloro-2-(3-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 848988

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 134576891) is 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is COc1ccccc1-n1nc2c(Cl)nnc(C)c2c1C.
What is the InChIKey of 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is PNAHYRSNEYFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-8-12-9(2)19(18-13(12)14(15)17-16-8)10-6-4-5-7-11(10)20-3/h4-7H,1-3H3.
What are the key properties of 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 288.74 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 134576891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).