potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane

C36H42Cl2F8KN9O3 — CID 162074489

About potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane

potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane (PubChem CID 162074489) has the molecular formula C36H42Cl2F8KN9O3 and a molecular weight of 910.78 g/mol. Its IUPAC name is potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane.

Molecular Properties

• Compound Name: potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane
• PubChem CID: 162074489
• Molecular Formula: C36H42Cl2F8KN9O3
• Molecular Weight: 910.78 g/mol
• Exact Mass: 909.23
• IUPAC Name: potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane
• SMILES: C.C.CC(C)(C)NC(=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)nn2c1CNCC2C(F)(F)F.[CH3-].[K+]
• InChI: InChI=1S/C19H20ClF4N5O2.C14H11ClF4N4O.2CH4.CH3.K/c1-18(2,3)26-17(31)28-7-12-14(16(25)30)15(9-4-5-11(21)10(20)6-9)27-29(12)13(8-28)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;;;;/h4-6,13H,7-8H2,1-3H3,(H2,25,30)(H,26,31);1-3,10,21H,4-5H2,(H2,20,24);2*1H4;1H3;/q;;;;-1;+1
• InChIKey: BTJMDJOZOGQVMA-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 166.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.78
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The IUPAC name of potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane (CID 162074489) is potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane.

What is the SMILES notation for potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The canonical SMILES for potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane is C.C.CC(C)(C)NC(=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)nn2c1CNCC2C(F)(F)F.[CH3-].[K+].

What is the InChIKey of potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

The InChIKey is BTJMDJOZOGQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF4N5O2.C14H11ClF4N4O.2CH4.CH3.K/c1-18(2,3)26-17(31)28-7-12-14(16(25)30)15(9-4-5-11(21)10(20)6-9)27-29(12)13(8-28)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;;;;/h4-6,13H,7-8H2,1-3H3,(H2,25,30)(H,26,31);1-3,10,21H,4-5H2,(H2,20,24);2*1H4;1H3;/q;;;;-1;+1.

What are the key properties of potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane?

potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane has a molecular weight of 910.78 g/mol, XLogP of 5.24, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;carbanide;2-(3-chloro-4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane is sourced from PubChem (CID 162074489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).