5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C46H50F3N11O4 — CID 160709882

About 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 160709882) has the molecular formula C46H50F3N11O4 and a molecular weight of 877.97 g/mol. Its IUPAC name is 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 160709882
• Molecular Formula: C46H50F3N11O4
• Molecular Weight: 877.97 g/mol
• Exact Mass: 877.40
• IUPAC Name: 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(C)CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(C(N)=O)c2C1.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CNCC2
• InChI: InChI=1S/C19H23FN4O2.C14H14FN3O.C13H13FN4O/c1-19(2,3)10-15(25)23-8-9-24-14(11-23)16(18(21)26)17(22-24)12-4-6-13(20)7-5-12;15-10-6-4-9(5-7-10)13-12(14(16)19)11-3-1-2-8-18(11)17-13;14-9-3-1-8(2-4-9)12-11(13(15)19)10-7-16-5-6-18(10)17-12/h4-7H,8-11H2,1-3H3,(H2,21,26);4-7H,1-3,8H2,(H2,16,19);1-4,16H,5-7H2,(H2,15,19)
• InChIKey: RRSHUEFZNVGXFE-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 215.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.97
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 160709882) is 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(C(N)=O)c2C1.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CNCC2.

What is the InChIKey of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is RRSHUEFZNVGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.C14H14FN3O.C13H13FN4O/c1-19(2,3)10-15(25)23-8-9-24-14(11-23)16(18(21)26)17(22-24)12-4-6-13(20)7-5-12;15-10-6-4-9(5-7-10)13-12(14(16)19)11-3-1-2-8-18(11)17-13;14-9-3-1-8(2-4-9)12-11(13(15)19)10-7-16-5-6-18(10)17-12/h4-7H,8-11H2,1-3H3,(H2,21,26);4-7H,1-3,8H2,(H2,16,19);1-4,16H,5-7H2,(H2,15,19).

What are the key properties of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 877.97 g/mol, XLogP of 5.58, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 160709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).