5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine

C15H9F6N3O — CID 134541735

IUPAC5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(C(F)(F)F)c2c1
InChIInChI=1S/C15H9F6N3O/c1-8-4-10(25-15(19,20)21)2-3-11(8)9-5-13-12(14(16,17)18)7-23-24(13)22-6-9/h2-7H,1H3
InChIKeyFIUNYAAQIGCOTJ-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.62
Rot. Bonds2

About 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine

5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine (PubChem CID 134541735) has the molecular formula C15H9F6N3O and a molecular weight of 361.25 g/mol. Its IUPAC name is 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
PubChem CID134541735
Molecular FormulaC15H9F6N3O
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC Name5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(C(F)(F)F)c2c1
InChIInChI=1S/C15H9F6N3O/c1-8-4-10(25-15(19,20)21)2-3-11(8)9-5-13-12(14(16,17)18)7-23-24(13)22-6-9/h2-7H,1H3
InChIKeyFIUNYAAQIGCOTJ-UHFFFAOYSA-N
XLogP4.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine
CID 142362562
N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 134559785
methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
CID 160912434
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
CID 166351969
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
amino 3-[5-[2-methyl-4-(trifluoromethoxy)phenyl]pyridazin-3-yl]propanoate
CID 155645798
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine (CID 134541735) is 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine is Cc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(C(F)(F)F)c2c1.
What is the InChIKey of 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
The InChIKey is FIUNYAAQIGCOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O/c1-8-4-10(25-15(19,20)21)2-3-11(8)9-5-13-12(14(16,17)18)7-23-24(13)22-6-9/h2-7H,1H3.
What are the key properties of 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine?
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine has a molecular weight of 361.25 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 134541735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).