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

C14H9Cl2F3N4O — CID 151713784

IUPAC7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(Cl)c2nn(-c3ccc(Cl)cc3OC(F)(F)F)c(C)c12
InChIInChI=1S/C14H9Cl2F3N4O/c1-6-11-7(2)23(22-12(11)13(16)21-20-6)9-4-3-8(15)5-10(9)24-14(17,18)19/h3-5H,1-2H3
InChIKeyRHCJSAIUVVJGMJ-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.64
Rot. Bonds2

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

7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 151713784) has the molecular formula C14H9Cl2F3N4O and a molecular weight of 377.15 g/mol. Its IUPAC name is 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID151713784
Molecular FormulaC14H9Cl2F3N4O
Molecular Weight377.15 g/mol
Exact Mass376.01
IUPAC Name7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(Cl)c2nn(-c3ccc(Cl)cc3OC(F)(F)F)c(C)c12
InChIInChI=1S/C14H9Cl2F3N4O/c1-6-11-7(2)23(22-12(11)13(16)21-20-6)9-4-3-8(15)5-10(9)24-14(17,18)19/h3-5H,1-2H3
InChIKeyRHCJSAIUVVJGMJ-UHFFFAOYSA-N
XLogP4.64
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 151713784) is 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine is Cc1nnc(Cl)c2nn(-c3ccc(Cl)cc3OC(F)(F)F)c(C)c12.
What is the InChIKey of 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is RHCJSAIUVVJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N4O/c1-6-11-7(2)23(22-12(11)13(16)21-20-6)9-4-3-8(15)5-10(9)24-14(17,18)19/h3-5H,1-2H3.
What are the key properties of 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 377.15 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-chloro-2-(trifluoromethoxy)phenyl]-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 151713784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).