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

C64H75F5KN13O9 — CID 160617124

About potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane (PubChem CID 160617124) has the molecular formula C64H75F5KN13O9 and a molecular weight of 1304.47 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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane
• PubChem CID: 160617124
• Molecular Formula: C64H75F5KN13O9
• Molecular Weight: 1304.47 g/mol
• Exact Mass: 1303.54
• IUPAC Name: potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane
• SMILES: C.C.CC(C)(C)OC(=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(CO)C1.[C-]#[N+]c1ccc(CC(=O)N2Cc3c(C(N)=O)c(-c4cccc(F)c4)nn3C(CF)C2)cc1.[CH3-].[K+]
• InChI: InChI=1S/C23H19F2N5O2.C19H22F2N4O3.C19H23FN4O4.2CH4.CH3.K/c1-27-17-7-5-14(6-8-17)9-20(31)29-12-18(11-24)30-19(13-29)21(23(26)32)22(28-30)15-3-2-4-16(25)10-15;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;1-19(2,3)28-18(27)23-8-13(10-25)24-14(9-23)15(17(21)26)16(22-24)11-5-4-6-12(20)7-11;;;;/h2-8,10,18H,9,11-13H2,(H2,26,32);4-7,13H,8-10H2,1-3H3,(H2,22,26);4-7,13,25H,8-10H2,1-3H3,(H2,21,26);2*1H4;1H3;/q;;;;;-1;+1
• InChIKey: XLLFHAARHDNXHU-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 286.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1304.47
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane (CID 160617124) is potassium;tert-butyl 3-carbamoyl-7-(fluoromethyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane is C.C.CC(C)(C)OC(=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(CO)C1.[C-]#[N+]c1ccc(CC(=O)N2Cc3c(C(N)=O)c(-c4cccc(F)c4)nn3C(CF)C2)cc1.[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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The InChIKey is XLLFHAARHDNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2.C19H22F2N4O3.C19H23FN4O4.2CH4.CH3.K/c1-27-17-7-5-14(6-8-17)9-20(31)29-12-18(11-24)30-19(13-29)21(23(26)32)22(28-30)15-3-2-4-16(25)10-15;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;1-19(2,3)28-18(27)23-8-13(10-25)24-14(9-23)15(17(21)26)16(22-24)11-5-4-6-12(20)7-11;;;;/h2-8,10,18H,9,11-13H2,(H2,26,32);4-7,13H,8-10H2,1-3H3,(H2,22,26);4-7,13,25H,8-10H2,1-3H3,(H2,21,26);2*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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane has a molecular weight of 1304.47 g/mol, XLogP of 7.28, 11 rotatable bonds, 4 hydrogen bond donors, and 15 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;tert-butyl 3-carbamoyl-2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;7-(fluoromethyl)-2-(3-fluorophenyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane is sourced from PubChem (CID 160617124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).