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

C13H10ClFN4 — CID 848990

IUPAC7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(Cl)c2nn(-c3ccccc3F)c(C)c12
InChIInChI=1S/C13H10ClFN4/c1-7-11-8(2)19(10-6-4-3-5-9(10)15)18-12(11)13(14)17-16-7/h3-6H,1-2H3
InChIKeyGYUNFLJEORLBRM-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.22
Rot. Bonds1

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

7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 848990) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID848990
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(Cl)c2nn(-c3ccccc3F)c(C)c12
InChIInChI=1S/C13H10ClFN4/c1-7-11-8(2)19(10-6-4-3-5-9(10)15)18-12(11)13(14)17-16-7/h3-6H,1-2H3
InChIKeyGYUNFLJEORLBRM-UHFFFAOYSA-N
XLogP3.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 848989
7-Chloro-2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 1234287
1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(4-fluorophenyl)piperazine
CID 8440567
3,4,7-Trimethyl-2-p-tolyl-2h-pyrazolo(3,4-d)pyridazine
CID 5046697
3-Chloro-2-phenyl-4,5,6,7-tetrahydroindazole
CID 2323002
3,4,7-trimethyl-2-(3-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-d]pyridazine
CID 17635131
5-Chloro-4-(1,2-difluoro-2-methylpropyl)-3-methyl-1-phenylpyrazole
CID 177856995
3,4,7-Trimethyl-2-phenylpyrazolo[3,4-d]pyridazine
CID 15785993
(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine
CID 139213761
1-(4-Methylphenyl)-3-chloroindazole
CID 11311072

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 848990) is 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is Cc1nnc(Cl)c2nn(-c3ccccc3F)c(C)c12.
What is the InChIKey of 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is GYUNFLJEORLBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c1-7-11-8(2)19(10-6-4-3-5-9(10)15)18-12(11)13(14)17-16-7/h3-6H,1-2H3.
What are the key properties of 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 276.70 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 848990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).