potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane

C41H53F4KN8O5 — CID 162191338

About potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane

potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane (PubChem CID 162191338) has the molecular formula C41H53F4KN8O5 and a molecular weight of 853.02 g/mol. Its IUPAC name is potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane.

Molecular Properties

• Compound Name: potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane
• PubChem CID: 162191338
• Molecular Formula: C41H53F4KN8O5
• Molecular Weight: 853.02 g/mol
• Exact Mass: 852.37
• IUPAC Name: potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane
• SMILES: C.CC(C)(C)CC(=O)N1Cc2c(C(N)=O)c(-c3cccc(F)c3)nn2C(CF)C1.CC(C)(C)OC(=O)N1Cc2c(C(N)=O)c(-c3cccc(F)c3)nn2C(CF)C1.[CH3-].[K+]
• InChI: InChI=1S/C20H24F2N4O2.C19H22F2N4O3.CH4.CH3.K/c1-20(2,3)8-16(27)25-10-14(9-21)26-15(11-25)17(19(23)28)18(24-26)12-5-4-6-13(22)7-12;1-19(2,3)28-18(27)24-9-13(8-20)25-14(10-24)15(17(22)26)16(23-25)11-5-4-6-12(21)7-11;;;/h4-7,14H,8-11H2,1-3H3,(H2,23,28);4-7,13H,8-10H2,1-3H3,(H2,22,26);1H4;1H3;/q;;;-1;+1
• InChIKey: UQEDMSAMDCSWTG-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 171.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	853.02
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The IUPAC name of potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane (CID 162191338) is potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane.

What is the SMILES notation for potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The canonical SMILES for potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane is C.CC(C)(C)CC(=O)N1Cc2c(C(N)=O)c(-c3cccc(F)c3)nn2C(CF)C1.CC(C)(C)OC(=O)N1Cc2c(C(N)=O)c(-c3cccc(F)c3)nn2C(CF)C1.[CH3-].[K+].

What is the InChIKey of potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The InChIKey is UQEDMSAMDCSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2.C19H22F2N4O3.CH4.CH3.K/c1-20(2,3)8-16(27)25-10-14(9-21)26-15(11-25)17(19(23)28)18(24-26)12-5-4-6-13(22)7-12;1-19(2,3)28-18(27)24-9-13(8-20)25-14(10-24)15(17(22)26)16(23-25)11-5-4-6-12(21)7-11;;;/h4-7,14H,8-11H2,1-3H3,(H2,23,28);4-7,13H,8-10H2,1-3H3,(H2,22,26);1H4;1H3;/q;;;-1;+1.

What are the key properties of potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane has a molecular weight of 853.02 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;5-(3,3-dimethylbutanoyl)-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane is sourced from PubChem (CID 162191338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).