7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine

C13H11ClN4 — CID 848986

IUPAC7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(Cl)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C13H11ClN4/c1-8-11-9(2)18(10-6-4-3-5-7-10)17-12(11)13(14)16-15-8/h3-7H,1-2H3
InChIKeyHBERWDMCUPSPOI-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.09
Rot. Bonds1

About 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine

7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 848986) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine
PubChem CID848986
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(Cl)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C13H11ClN4/c1-8-11-9(2)18(10-6-4-3-5-7-10)17-12(11)13(14)16-15-8/h3-7H,1-2H3
InChIKeyHBERWDMCUPSPOI-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[3-(4-Chloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-b]pyridin-7-yl]-dipropyl-amine
CID 44341463
Dibutyl-[3-(4-chloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 44341861
1-chloro-4-methyl-5H-pyridazino[4,5-b]indole
CID 71596891
7-chloro-2-(2-fluorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 848990
3,4,7-Trimethyl-2-p-tolyl-2h-pyrazolo(3,4-d)pyridazine
CID 5046697
4-(4-Chlorophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
CID 5188035
3-Chloro-2-phenyl-4,5,6,7-tetrahydroindazole
CID 2323002
2-(4-Chlorophenyl)-7-methyl-4-phenylpyrazolo[3,4-d]pyridazine
CID 4623233
4-(4-Chlorophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
CID 5143845

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine (CID 848986) is 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine is Cc1nnc(Cl)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is HBERWDMCUPSPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-11-9(2)18(10-6-4-3-5-7-10)17-12(11)13(14)16-15-8/h3-7H,1-2H3.
What are the key properties of 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 258.71 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 848986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).