5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate

C70H85Cl3F9N15O13S — CID 158359371

About 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate

5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate (PubChem CID 158359371) has the molecular formula C70H85Cl3F9N15O13S and a molecular weight of 1653.95 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate
• PubChem CID: 158359371
• Molecular Formula: C70H85Cl3F9N15O13S
• Molecular Weight: 1653.95 g/mol
• Exact Mass: 1651.51
• IUPAC Name: 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate
• SMILES: C.C.CC(C)(C)OC(=O)N1CC(C(=O)O)C1.CN1CC(CC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)C1.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)CC1CCC1)CC2.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)CC1CNC1)CC2.O=S(=O)(OCC(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C19H21ClFN5O2.C19H20ClFN4O2.C18H19ClFN5O2.C9H15NO4.C3H2F6O3S.2CH4/c1-24-8-11(9-24)6-16(27)25-4-5-26-15(10-25)17(19(22)28)18(23-26)12-2-3-14(21)13(20)7-12;20-13-9-12(4-5-14(13)21)18-17(19(22)27)15-10-24(6-7-25(15)23-18)16(26)8-11-2-1-3-11;19-12-6-11(1-2-13(12)20)17-16(18(21)27)14-9-24(3-4-25(14)23-17)15(26)5-10-7-22-8-10;1-9(2,3)14-8(13)10-4-6(5-10)7(11)12;4-2(5,6)1-12-13(10,11)3(7,8)9;;/h2-3,7,11H,4-6,8-10H2,1H3,(H2,22,28);4-5,9,11H,1-3,6-8,10H2,(H2,22,27);1-2,6,10,22H,3-5,7-9H2,(H2,21,27);6H,4-5H2,1-3H3,(H,11,12);1H2;2*1H4
• InChIKey: GTGXNFNJHZOCSV-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 369.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1653.95
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate?

The IUPAC name of 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate (CID 158359371) is 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate.

What is the SMILES notation for 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate?

The canonical SMILES for 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate is C.C.CC(C)(C)OC(=O)N1CC(C(=O)O)C1.CN1CC(CC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)C1.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)CC1CCC1)CC2.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)CC1CNC1)CC2.O=S(=O)(OCC(F)(F)F)C(F)(F)F.

What is the InChIKey of 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate?

The InChIKey is GTGXNFNJHZOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2.C19H20ClFN4O2.C18H19ClFN5O2.C9H15NO4.C3H2F6O3S.2CH4/c1-24-8-11(9-24)6-16(27)25-4-5-26-15(10-25)17(19(22)28)18(23-26)12-2-3-14(21)13(20)7-12;20-13-9-12(4-5-14(13)21)18-17(19(22)27)15-10-24(6-7-25(15)23-18)16(26)8-11-2-1-3-11;19-12-6-11(1-2-13(12)20)17-16(18(21)27)14-9-24(3-4-25(14)23-17)15(26)5-10-7-22-8-10;1-9(2,3)14-8(13)10-4-6(5-10)7(11)12;4-2(5,6)1-12-13(10,11)3(7,8)9;;/h2-3,7,11H,4-6,8-10H2,1H3,(H2,22,28);4-5,9,11H,1-3,6-8,10H2,(H2,22,27);1-2,6,10,22H,3-5,7-9H2,(H2,21,27);6H,4-5H2,1-3H3,(H,11,12);1H2;2*1H4.

What are the key properties of 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate?

5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate has a molecular weight of 1653.95 g/mol, XLogP of 9.73, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azetidin-3-yl)acetyl]-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-(2-cyclobutylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-5-[2-(1-methylazetidin-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,2,2-trifluoroethyl trifluoromethanesulfonate is sourced from PubChem (CID 158359371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).