potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde

C62H63Cl3F19KN12O7 — CID 159429091

About potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde

potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 159429091) has the molecular formula C62H63Cl3F19KN12O7 and a molecular weight of 1594.68 g/mol. Its IUPAC name is potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159429091
• Molecular Formula: C62H63Cl3F19KN12O7
• Molecular Weight: 1594.68 g/mol
• Exact Mass: 1592.33
• IUPAC Name: potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde
• SMILES: C.CC(C)(C)OC(=O)N1Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn2C(C(F)(F)F)C1.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CC(C(=O)CC1CC(F)(F)C1)CC2C(F)(F)F.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CNCC2C(F)(F)F.NC1CC(F)(F)C1.O=CC(F)(F)F.[CH3-].[K+]
• InChI: InChI=1S/C21H18ClF6N3O2.C19H19ClF4N4O3.C14H11ClF4N4O.C4H7F2N.C2HF3O.CH4.CH3.K/c22-12-4-10(1-2-13(12)23)18-17(19(29)33)14-5-11(6-16(21(26,27)28)31(14)30-18)15(32)3-9-7-20(24,25)8-9;1-18(2,3)31-17(30)27-7-12-14(16(25)29)15(9-4-5-11(21)10(20)6-9)26-28(12)13(8-27)19(22,23)24;15-7-3-6(1-2-8(7)16)12-11(13(20)24)9-4-21-5-10(14(17,18)19)23(9)22-12;5-4(6)1-3(7)2-4;3-2(4,5)1-6;;;/h1-2,4,9,11,16H,3,5-8H2,(H2,29,33);4-6,13H,7-8H2,1-3H3,(H2,25,29);1-3,10,21H,4-5H2,(H2,20,24);3H,1-2,7H2;1H;1H4;1H3;/q;;;;;;-1;+1
• InChIKey: WYALEURZBGDTOU-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 284.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.68
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde (CID 159429091) is potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde is C.CC(C)(C)OC(=O)N1Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn2C(C(F)(F)F)C1.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CC(C(=O)CC1CC(F)(F)C1)CC2C(F)(F)F.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CNCC2C(F)(F)F.NC1CC(F)(F)C1.O=CC(F)(F)F.[CH3-].[K+].

What is the InChIKey of potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

The InChIKey is WYALEURZBGDTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF6N3O2.C19H19ClF4N4O3.C14H11ClF4N4O.C4H7F2N.C2HF3O.CH4.CH3.K/c22-12-4-10(1-2-13(12)23)18-17(19(29)33)14-5-11(6-16(21(26,27)28)31(14)30-18)15(32)3-9-7-20(24,25)8-9;1-18(2,3)31-17(30)27-7-12-14(16(25)29)15(9-4-5-11(21)10(20)6-9)26-28(12)13(8-27)19(22,23)24;15-7-3-6(1-2-8(7)16)12-11(13(20)24)9-4-21-5-10(14(17,18)19)23(9)22-12;5-4(6)1-3(7)2-4;3-2(4,5)1-6;;;/h1-2,4,9,11,16H,3,5-8H2,(H2,29,33);4-6,13H,7-8H2,1-3H3,(H2,25,29);1-3,10,21H,4-5H2,(H2,20,24);3H,1-2,7H2;1H;1H4;1H3;/q;;;;;;-1;+1.

What are the key properties of potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 1594.68 g/mol, XLogP of 11.64, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbanide;2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159429091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).