potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine

C75H85Cl8K7N17O6+ — CID 158470291

About potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine

potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine (PubChem CID 158470291) has the molecular formula C75H85Cl8K7N17O6+ and a molecular weight of 1877.93 g/mol. Its IUPAC name is potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine
• PubChem CID: 158470291
• Molecular Formula: C75H85Cl8K7N17O6+
• Molecular Weight: 1877.93 g/mol
• Exact Mass: 1872.18
• IUPAC Name: potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine
• SMILES: C.C.C.C#Cc1ccccc1C(C)C(N)=O.CC(C(N)=O)c1ccccc1C#Cc1nc(Cl)ncc1Cl.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cn[nH]c2)ncc1Cl.CC(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl.CC(C)(C)OC(=O)[N+]1=CC(N)C=N1.Clc1ncc(Cl)c(Cl)n1.[H-].[K+].[K][K].[K][K].[K][K]
• InChI: InChI=1S/C19H20ClN5O.C15H15Cl2N3O.C15H11Cl2N3O.C11H11NO.C8H14N3O2.C4HCl3N2.3CH4.7K.H/c1-12(19(21)26)15-5-3-2-4-14(15)6-7-17-16(20)11-22-18(25-17)8-13-9-23-24-10-13;2*1-9(14(18)21)11-5-3-2-4-10(11)6-7-13-12(16)8-19-15(17)20-13;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-8(2,3)13-7(12)11-5-6(9)4-10-11;5-2-1-8-4(7)9-3(2)6;;;;;;;;;;;/h2-5,9-12H,6-8H2,1H3,(H2,21,26)(H,23,24);2-5,8-9H,6-7H2,1H3,(H2,18,21);2-5,8-9H,1H3,(H2,18,21);1,4-8H,2H3,(H2,12,13);4-6H,9H2,1-3H3;1H;3*1H4;;;;;;;;/q;;;;+1;;;;;;;;;;;+1;-1
• InChIKey: WGQXSSMQUQYGGT-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 371.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.93
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine?

The IUPAC name of potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine (CID 158470291) is potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine.

What is the SMILES notation for potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine?

The canonical SMILES for potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine is C.C.C.C#Cc1ccccc1C(C)C(N)=O.CC(C(N)=O)c1ccccc1C#Cc1nc(Cl)ncc1Cl.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cn[nH]c2)ncc1Cl.CC(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl.CC(C)(C)OC(=O)[N+]1=CC(N)C=N1.Clc1ncc(Cl)c(Cl)n1.[H-].[K+].[K][K].[K][K].[K][K].

What is the InChIKey of potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine?

The InChIKey is WGQXSSMQUQYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C15H15Cl2N3O.C15H11Cl2N3O.C11H11NO.C8H14N3O2.C4HCl3N2.3CH4.7K.H/c1-12(19(21)26)15-5-3-2-4-14(15)6-7-17-16(20)11-22-18(25-17)8-13-9-23-24-10-13;2*1-9(14(18)21)11-5-3-2-4-10(11)6-7-13-12(16)8-19-15(17)20-13;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-8(2,3)13-7(12)11-5-6(9)4-10-11;5-2-1-8-4(7)9-3(2)6;;;;;;;;;;;/h2-5,9-12H,6-8H2,1H3,(H2,21,26)(H,23,24);2-5,8-9H,6-7H2,1H3,(H2,18,21);2-5,8-9H,1H3,(H2,18,21);1,4-8H,2H3,(H2,12,13);4-6H,9H2,1-3H3;1H;3*1H4;;;;;;;;/q;;;;+1;;;;;;;;;;;+1;-1.

What are the key properties of potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine?

potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine has a molecular weight of 1877.93 g/mol, XLogP of 9.51, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 4-amino-4H-pyrazol-1-ium-1-carboxylate;2-[2-[2-[5-chloro-2-(1H-pyrazol-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]propanamide;2-(2-ethynylphenyl)propanamide;hydride;methane;potassiopotassium;2,4,5-trichloropyrimidine is sourced from PubChem (CID 158470291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).