N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide

C21H23N7O — CID 53009094

IUPACN-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1
InChIInChI=1S/C21H23N7O/c1-13-9-14(2)11-17(10-13)23-21(29)8-5-18-15(3)25-28(16(18)4)20-7-6-19-24-22-12-27(19)26-20/h6-7,9-12H,5,8H2,1-4H3,(H,23,29)
InChIKeyYJTWFCWNFJNKLC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.11
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide

N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide (PubChem CID 53009094) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
PubChem CID53009094
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1
InChIInChI=1S/C21H23N7O/c1-13-9-14(2)11-17(10-13)23-21(29)8-5-18-15(3)25-28(16(18)4)20-7-6-19-24-22-12-27(19)26-20/h6-7,9-12H,5,8H2,1-4H3,(H,23,29)
InChIKeyYJTWFCWNFJNKLC-UHFFFAOYSA-N
XLogP3.11
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53009115
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009086
3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 53093115
N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53093152
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53069666
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946932
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 31405262
N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide
CID 84613542
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907
N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 46339991
3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542554
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-methoxyphenyl)propanamide
CID 20946897

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide (CID 53009094) is N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide is Cc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The InChIKey is YJTWFCWNFJNKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-9-14(2)11-17(10-13)23-21(29)8-5-18-15(3)25-28(16(18)4)20-7-6-19-24-22-12-27(19)26-20/h6-7,9-12H,5,8H2,1-4H3,(H,23,29).
What are the key properties of N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide has a molecular weight of 389.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53009094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).