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

C17H15F3N4O2 — CID 134559785

IUPACN,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESCc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(C(=O)N(C)C)c2c1
InChIInChI=1S/C17H15F3N4O2/c1-10-6-12(26-17(18,19)20)4-5-13(10)11-7-15-14(16(25)23(2)3)9-22-24(15)21-8-11/h4-9H,1-3H3
InChIKeyNGEUKIMGFGZETO-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.31
Rot. Bonds3

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

N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (PubChem CID 134559785) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
PubChem CID134559785
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESCc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(C(=O)N(C)C)c2c1
InChIInChI=1S/C17H15F3N4O2/c1-10-6-12(26-17(18,19)20)4-5-13(10)11-7-15-14(16(25)23(2)3)9-22-24(15)21-8-11/h4-9H,1-3H3
InChIKeyNGEUKIMGFGZETO-UHFFFAOYSA-N
XLogP3.31
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
CID 134541735
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine
CID 142362562
methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
CID 160912434
[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
CID 166351969
amino 3-[5-[2-methyl-4-(trifluoromethoxy)phenyl]pyridazin-3-yl]propanoate
CID 155645798
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid
CID 141403897
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122446343

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (CID 134559785) is N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is Cc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(C(=O)N(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The InChIKey is NGEUKIMGFGZETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-10-6-12(26-17(18,19)20)4-5-13(10)11-7-15-14(16(25)23(2)3)9-22-24(15)21-8-11/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is sourced from PubChem (CID 134559785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).