5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane

C108H129F7I2N20O5 — CID 161167751

About 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane

5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane (PubChem CID 161167751) has the molecular formula C108H129F7I2N20O5 and a molecular weight of 2174.15 g/mol. Its IUPAC name is 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane.

Molecular Properties

• Compound Name: 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane
• PubChem CID: 161167751
• Molecular Formula: C108H129F7I2N20O5
• Molecular Weight: 2174.15 g/mol
• Exact Mass: 2172.84
• IUPAC Name: 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane
• SMILES: C.C.C.C.CC(C)(C)N=C=O.CC(C)(C)NC(=O)N1Cc2c(C(N)=O)c(-c3cccc(F)c3)nn2C2(CC2)C1.CF.CI.Fc1cccc(-c2cc3n(n2)C2(CCC3)CC2)c1.Fc1cccc(-c2nn3c(c2I)CCCC32CC2)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC21CC1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CNCC21CC1.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC21CC1
• InChI: InChI=1S/C20H24FN5O2.C16H16FN3O.C16H14FN3.C15H14FIN2.C15H15FN4O.C15H15FN2.C5H9NO.CH3F.CH3I.4CH4/c1-19(2,3)23-18(28)25-10-14-15(17(22)27)16(12-5-4-6-13(21)9-12)24-26(14)20(11-25)7-8-20;17-11-4-1-3-10(9-11)14-13(15(18)21)12-5-2-6-16(7-8-16)20(12)19-14;1-18-15-13-6-3-7-16(8-9-16)20(13)19-14(15)11-4-2-5-12(17)10-11;16-11-4-1-3-10(9-11)14-13(17)12-5-2-6-15(7-8-15)19(12)18-14;16-10-3-1-2-9(6-10)13-12(14(17)21)11-7-18-8-15(4-5-15)20(11)19-13;16-12-4-1-3-11(9-12)14-10-13-5-2-6-15(7-8-15)18(13)17-14;1-5(2,3)6-4-7;2*1-2;;;;/h4-6,9H,7-8,10-11H2,1-3H3,(H2,22,27)(H,23,28);1,3-4,9H,2,5-8H2,(H2,18,21);2,4-5,10H,3,6-9H2;1,3-4,9H,2,5-8H2;1-3,6,18H,4-5,7-8H2,(H2,17,21);1,3-4,9-10H,2,5-8H2;1-3H3;2*1H3;4*1H4
• InChIKey: UQTSRDJOPHKPGO-UHFFFAOYSA-N
• XLogP: 23.60
• TPSA: 314.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.15
LogP ≤ 5	23.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane?

The IUPAC name of 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane (CID 161167751) is 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane.

What is the SMILES notation for 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane?

The canonical SMILES for 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane is C.C.C.C.CC(C)(C)N=C=O.CC(C)(C)NC(=O)N1Cc2c(C(N)=O)c(-c3cccc(F)c3)nn2C2(CC2)C1.CF.CI.Fc1cccc(-c2cc3n(n2)C2(CCC3)CC2)c1.Fc1cccc(-c2nn3c(c2I)CCCC32CC2)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC21CC1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CNCC21CC1.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC21CC1.

What is the InChIKey of 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane?

The InChIKey is UQTSRDJOPHKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2.C16H16FN3O.C16H14FN3.C15H14FIN2.C15H15FN4O.C15H15FN2.C5H9NO.CH3F.CH3I.4CH4/c1-19(2,3)23-18(28)25-10-14-15(17(22)27)16(12-5-4-6-13(21)9-12)24-26(14)20(11-25)7-8-20;17-11-4-1-3-10(9-11)14-13(15(18)21)12-5-2-6-16(7-8-16)20(12)19-14;1-18-15-13-6-3-7-16(8-9-16)20(13)19-14(15)11-4-2-5-12(17)10-11;16-11-4-1-3-10(9-11)14-13(17)12-5-2-6-15(7-8-15)19(12)18-14;16-10-3-1-2-9(6-10)13-12(14(17)21)11-7-18-8-15(4-5-15)20(11)19-13;16-12-4-1-3-11(9-12)14-10-13-5-2-6-15(7-8-15)18(13)17-14;1-5(2,3)6-4-7;2*1-2;;;;/h4-6,9H,7-8,10-11H2,1-3H3,(H2,22,27)(H,23,28);1,3-4,9H,2,5-8H2,(H2,18,21);2,4-5,10H,3,6-9H2;1,3-4,9H,2,5-8H2;1-3,6,18H,4-5,7-8H2,(H2,17,21);1,3-4,9-10H,2,5-8H2;1-3H3;2*1H3;4*1H4.

What are the key properties of 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane?

5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane has a molecular weight of 2174.15 g/mol, XLogP of 23.60, 9 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-tert-butyl-2-(3-fluorophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide;fluoromethane;2-(3-fluorophenyl)-3-iodospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)-3-isocyanospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane];2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;iodomethane;2-isocyanato-2-methylpropane;methane is sourced from PubChem (CID 161167751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).