3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine

C30H24F8N6O2 — CID 142362622

IUPAC3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
SMILESCC.CC(F)(F)c1cnn2ncc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2cc3ccnn3cn2)cc1
InChIInChI=1S/C15H10F5N3O.C13H8F3N3O.C2H6/c1-14(16,17)12-8-22-23-13(12)6-10(7-21-23)9-2-4-11(5-3-9)24-15(18,19)20;14-13(15,16)20-11-3-1-9(2-4-11)12-7-10-5-6-18-19(10)8-17-12;1-2/h2-8H,1H3;1-8H;1-2H3
InChIKeyHKCWNIFUHORAPY-UHFFFAOYSA-N
MW652.55 g/mol
LogP8.73
Rot. Bonds5

About 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine

3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine (PubChem CID 142362622) has the molecular formula C30H24F8N6O2 and a molecular weight of 652.55 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
PubChem CID142362622
Molecular FormulaC30H24F8N6O2
Molecular Weight652.55 g/mol
Exact Mass652.18
IUPAC Name3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
SMILESCC.CC(F)(F)c1cnn2ncc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2cc3ccnn3cn2)cc1
InChIInChI=1S/C15H10F5N3O.C13H8F3N3O.C2H6/c1-14(16,17)12-8-22-23-13(12)6-10(7-21-23)9-2-4-11(5-3-9)24-15(18,19)20;14-13(15,16)20-11-3-1-9(2-4-11)12-7-10-5-6-18-19(10)8-17-12;1-2/h2-8H,1H3;1-8H;1-2H3
InChIKeyHKCWNIFUHORAPY-UHFFFAOYSA-N
XLogP8.73
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.55
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
ML347
CID 44577753
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine (CID 142362622) is 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine is CC.CC(F)(F)c1cnn2ncc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2cc3ccnn3cn2)cc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The InChIKey is HKCWNIFUHORAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O.C13H8F3N3O.C2H6/c1-14(16,17)12-8-22-23-13(12)6-10(7-21-23)9-2-4-11(5-3-9)24-15(18,19)20;14-13(15,16)20-11-3-1-9(2-4-11)12-7-10-5-6-18-19(10)8-17-12;1-2/h2-8H,1H3;1-8H;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine has a molecular weight of 652.55 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;ethane;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 142362622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).