(3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C72H75BCl4F6IN15O7 — CID 157462967

About (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 157462967) has the molecular formula C72H75BCl4F6IN15O7 and a molecular weight of 1656.01 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 157462967
• Molecular Formula: C72H75BCl4F6IN15O7
• Molecular Weight: 1656.01 g/mol
• Exact Mass: 1653.38
• IUPAC Name: (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC1(NC(=O)N2Cc3c(C(N)=O)c(-c4ccc(F)c(Cl)c4)nn3CC2C2CC2)CC(F)(F)C1.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CCC(C1CC1)C2.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CNC(C1CC1)C2.NC(=O)c1c(I)nn2c1CCC(C1CC1)C2.OB(O)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C22H23ClF3N5O2.C17H17ClFN3O.C16H16ClFN4O.C11H14IN3O.C6H5BClFO2/c1-21(9-22(25,26)10-21)28-20(33)30-7-16-17(19(27)32)18(12-4-5-14(24)13(23)6-12)29-31(16)8-15(30)11-2-3-11;18-12-7-10(3-5-13(12)19)16-15(17(20)23)14-6-4-11(9-1-2-9)8-22(14)21-16;17-10-5-9(3-4-11(10)18)15-14(16(19)23)13-6-20-12(8-1-2-8)7-22(13)21-15;12-10-9(11(13)16)8-4-3-7(6-1-2-6)5-15(8)14-10;8-5-3-4(7(10)11)1-2-6(5)9/h4-6,11,15H,2-3,7-10H2,1H3,(H2,27,32)(H,28,33);3,5,7,9,11H,1-2,4,6,8H2,(H2,20,23);3-5,8,12,20H,1-2,6-7H2,(H2,19,23);6-7H,1-5H2,(H2,13,16);1-3,10-11H
• InChIKey: BUDKRMUCDTZYKL-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 328.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1656.01
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 157462967) is (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC1(NC(=O)N2Cc3c(C(N)=O)c(-c4ccc(F)c(Cl)c4)nn3CC2C2CC2)CC(F)(F)C1.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CCC(C1CC1)C2.NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CNC(C1CC1)C2.NC(=O)c1c(I)nn2c1CCC(C1CC1)C2.OB(O)c1ccc(F)c(Cl)c1.

What is the InChIKey of (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is BUDKRMUCDTZYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N5O2.C17H17ClFN3O.C16H16ClFN4O.C11H14IN3O.C6H5BClFO2/c1-21(9-22(25,26)10-21)28-20(33)30-7-16-17(19(27)32)18(12-4-5-14(24)13(23)6-12)29-31(16)8-15(30)11-2-3-11;18-12-7-10(3-5-13(12)19)16-15(17(20)23)14-6-4-11(9-1-2-9)8-22(14)21-16;17-10-5-9(3-4-11(10)18)15-14(16(19)23)13-6-20-12(8-1-2-8)7-22(13)21-15;12-10-9(11(13)16)8-4-3-7(6-1-2-6)5-15(8)14-10;8-5-3-4(7(10)11)1-2-6(5)9/h4-6,11,15H,2-3,7-10H2,1H3,(H2,27,32)(H,28,33);3,5,7,9,11H,1-2,4,6,8H2,(H2,20,23);3-5,8,12,20H,1-2,6-7H2,(H2,19,23);6-7H,1-5H2,(H2,13,16);1-3,10-11H.

What are the key properties of (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

(3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1656.01 g/mol, XLogP of 11.39, 13 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-4-fluorophenyl)boronic acid;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;6-cyclopropyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157462967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).