3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide

C19H22F3N7O3S — CID 55560409

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H22F3N7O3S/c1-10-8-15(29(26-10)13-6-7-33(31,32)9-13)24-16(30)5-4-14-11(2)23-18-25-17(19(20,21)22)27-28(18)12(14)3/h8,13H,4-7,9H2,1-3H3,(H,24,30)
InChIKeySSOWZERGFAPGMP-UHFFFAOYSA-N
MW485.49 g/mol
LogP2.20
Rot. Bonds5

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 55560409) has the molecular formula C19H22F3N7O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide
PubChem CID55560409
Molecular FormulaC19H22F3N7O3S
Molecular Weight485.49 g/mol
Exact Mass485.15
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H22F3N7O3S/c1-10-8-15(29(26-10)13-6-7-33(31,32)9-13)24-16(30)5-4-14-11(2)23-18-25-17(19(20,21)22)27-28(18)12(14)3/h8,13H,4-7,9H2,1-3H3,(H,24,30)
InChIKeySSOWZERGFAPGMP-UHFFFAOYSA-N
XLogP2.20
TPSA124.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide with MolForge

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 18145929
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30184721
(1,1-Dioxothiolan-3-yl)-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 46955742
N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 55433038
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,1-dioxothiolan-3-yl)-N-propylpropanamide
CID 55451208
N-butyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55507484
N-(2,5-dimethylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 55601777
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 55725989
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 56079111
N-(1,3-ditert-butylpyrazol-5-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 56434377
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethylsulfonylethyl)propanamide
CID 56463655
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylsulfonylpropyl)propanamide
CID 60550174

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide (CID 55560409) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is SSOWZERGFAPGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O3S/c1-10-8-15(29(26-10)13-6-7-33(31,32)9-13)24-16(30)5-4-14-11(2)23-18-25-17(19(20,21)22)27-28(18)12(14)3/h8,13H,4-7,9H2,1-3H3,(H,24,30).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 485.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 55560409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).