potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium

C43H46ClF6K7N10O2 — CID 157138717

About potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium

potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium (PubChem CID 157138717) has the molecular formula C43H46ClF6K7N10O2 and a molecular weight of 1158.04 g/mol. Its IUPAC name is potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium.

Molecular Properties

• Compound Name: potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium
• PubChem CID: 157138717
• Molecular Formula: C43H46ClF6K7N10O2
• Molecular Weight: 1158.04 g/mol
• Exact Mass: 1156.09
• IUPAC Name: potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium
• SMILES: C.C#Cc1ccccc1C(C)C(N)=O.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C)c2)ncc1C(F)(F)F.Cn1cc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.[H-].[K+].[K][K].[K][K].[K][K]
• InChI: InChI=1S/C21H22F3N5O.C11H11NO.C10H8ClF3N4.CH4.7K.H/c1-13(20(25)30)16-6-4-3-5-15(16)7-8-18-17(21(22,23)24)11-26-19(28-18)9-14-10-27-29(2)12-14;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-18-5-6(3-16-18)2-8-15-4-7(9(11)17-8)10(12,13)14;;;;;;;;;/h3-6,10-13H,7-9H2,1-2H3,(H2,25,30);1,4-8H,2H3,(H2,12,13);3-5H,2H2,1H3;1H4;;;;;;;;/q;;;;;;;;;;+1;-1
• InChIKey: ZAWVSSPQFHARKH-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 173.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1158.04
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium?

The IUPAC name of potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium (CID 157138717) is potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium.

What is the SMILES notation for potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium?

The canonical SMILES for potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium is C.C#Cc1ccccc1C(C)C(N)=O.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C)c2)ncc1C(F)(F)F.Cn1cc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.[H-].[K+].[K][K].[K][K].[K][K].

What is the InChIKey of potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium?

The InChIKey is ZAWVSSPQFHARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O.C11H11NO.C10H8ClF3N4.CH4.7K.H/c1-13(20(25)30)16-6-4-3-5-15(16)7-8-18-17(21(22,23)24)11-26-19(28-18)9-14-10-27-29(2)12-14;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-18-5-6(3-16-18)2-8-15-4-7(9(11)17-8)10(12,13)14;;;;;;;;;/h3-6,10-13H,7-9H2,1-2H3,(H2,25,30);1,4-8H,2H3,(H2,12,13);3-5H,2H2,1H3;1H4;;;;;;;;/q;;;;;;;;;;+1;-1.

What are the key properties of potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium?

potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium has a molecular weight of 1158.04 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium is sourced from PubChem (CID 157138717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).