carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate

C89H90ClF8N15O10 — CID 163896309

About carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate

carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate (PubChem CID 163896309) has the molecular formula C89H90ClF8N15O10 and a molecular weight of 1717.23 g/mol. Its IUPAC name is carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate.

Molecular Properties

• Compound Name: carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
• PubChem CID: 163896309
• Molecular Formula: C89H90ClF8N15O10
• Molecular Weight: 1717.23 g/mol
• Exact Mass: 1715.66
• IUPAC Name: carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
• SMILES: CC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)c1ccccc12.COC(=O)C1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)c1ccccc12.Cn1cc(C(=O)NC23CCC(C2)c2ccccc23)c(C(F)F)n1.Cn1cc(C(=O)NC23CCC(c4ccccc42)C3CO)c(C(F)F)n1.Cn1ncc(C(=O)NC23CCC(C2)c2ccccc23)c1Cl.O=C=O
• InChI: InChI=1S/C19H19F2N3O3.C18H19F2N3O2.C18H19F2N3O.C17H17F2N3O.C16H16ClN3O.CO2/c1-24-9-12(15(23-24)16(20)21)17(25)22-19-8-7-11(14(19)18(26)27-2)10-5-3-4-6-13(10)19;1-23-8-12(15(22-23)16(19)20)17(25)21-18-7-6-11(14(18)9-24)10-4-2-3-5-13(10)18;1-10-11-7-8-18(10,14-6-4-3-5-12(11)14)21-17(24)13-9-23(2)22-15(13)16(19)20;1-22-9-12(14(21-22)15(18)19)16(23)20-17-7-6-10(8-17)11-4-2-3-5-13(11)17;1-20-14(17)12(9-18-20)15(21)19-16-7-6-10(8-16)11-4-2-3-5-13(11)16;2-1-3/h3-6,9,11,14,16H,7-8H2,1-2H3,(H,22,25);2-5,8,11,14,16,24H,6-7,9H2,1H3,(H,21,25);3-6,9-11,16H,7-8H2,1-2H3,(H,21,24);2-5,9-10,15H,6-8H2,1H3,(H,20,23);2-5,9-10H,6-8H2,1H3,(H,19,21)
• InChIKey: QFXROEJBOAQDQB-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 315.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1717.23
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?

The IUPAC name of carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate (CID 163896309) is carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate.

What is the SMILES notation for carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?

The canonical SMILES for carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate is CC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)c1ccccc12.COC(=O)C1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)c1ccccc12.Cn1cc(C(=O)NC23CCC(C2)c2ccccc23)c(C(F)F)n1.Cn1cc(C(=O)NC23CCC(c4ccccc42)C3CO)c(C(F)F)n1.Cn1ncc(C(=O)NC23CCC(C2)c2ccccc23)c1Cl.O=C=O.

What is the InChIKey of carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?

The InChIKey is QFXROEJBOAQDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3.C18H19F2N3O2.C18H19F2N3O.C17H17F2N3O.C16H16ClN3O.CO2/c1-24-9-12(15(23-24)16(20)21)17(25)22-19-8-7-11(14(19)18(26)27-2)10-5-3-4-6-13(10)19;1-23-8-12(15(22-23)16(19)20)17(25)21-18-7-6-11(14(18)9-24)10-4-2-3-5-13(10)18;1-10-11-7-8-18(10,14-6-4-3-5-12(11)14)21-17(24)13-9-23(2)22-15(13)16(19)20;1-22-9-12(14(21-22)15(18)19)16(23)20-17-7-6-10(8-17)11-4-2-3-5-13(11)17;1-20-14(17)12(9-18-20)15(21)19-16-7-6-10(8-16)11-4-2-3-5-13(11)16;2-1-3/h3-6,9,11,14,16H,7-8H2,1-2H3,(H,22,25);2-5,8,11,14,16,24H,6-7,9H2,1H3,(H,21,25);3-6,9-11,16H,7-8H2,1-2H3,(H,21,24);2-5,9-10,15H,6-8H2,1H3,(H,20,23);2-5,9-10H,6-8H2,1H3,(H,19,21);.

What are the key properties of carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate?

carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate has a molecular weight of 1717.23 g/mol, XLogP of 14.32, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate is sourced from PubChem (CID 163896309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).