1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide

C89H80ClF3N24O11 — CID 161241081

About 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide

1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide (PubChem CID 161241081) has the molecular formula C89H80ClF3N24O11 and a molecular weight of 1754.22 g/mol. Its IUPAC name is 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide
• PubChem CID: 161241081
• Molecular Formula: C89H80ClF3N24O11
• Molecular Weight: 1754.22 g/mol
• Exact Mass: 1752.61
• IUPAC Name: 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide
• SMILES: CC(=O)Nc1cn[nH]c1.CC(=O)Nc1cnn(-c2cc(-c3c(F)cccc3C#N)nc3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1.CC(=O)Nc1cnn(-c2cc(-c3c(F)cccc3C#N)nc3c2C(=O)NC3)c1.CC(=O)Nc1cnn(Cc2ccccc2)c1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.Nc1cnn(Cc2ccccc2)c1
• InChI: InChI=1S/C24H21FN6O4.C19H15ClFN3O3.C19H13FN6O2.C12H13N3O.C10H11N3.C5H7N3O/c1-13(32)28-15-10-27-31(11-15)19-8-17(20-14(9-26)6-5-7-16(20)25)29-18-12-30(22(33)21(18)19)23(34)35-24(2,3)4;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;1-10(27)24-12-7-23-26(9-12)16-5-14(25-15-8-22-19(28)18(15)16)17-11(6-21)3-2-4-13(17)20;1-10(16)14-12-7-13-15(9-12)8-11-5-3-2-4-6-11;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9;1-4(9)8-5-2-6-7-3-5/h5-8,10-11H,12H2,1-4H3,(H,28,32);4-7H,9H2,1-3H3;2-5,7,9H,8H2,1H3,(H,22,28)(H,24,27);2-7,9H,8H2,1H3,(H,14,16);1-6,8H,7,11H2;2-3H,1H3,(H,6,7)(H,8,9)
• InChIKey: UZZWUAXUJFHUOW-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 474.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1754.22
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide?

The IUPAC name of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide (CID 161241081) is 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide.

What is the SMILES notation for 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide?

The canonical SMILES for 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide is CC(=O)Nc1cn[nH]c1.CC(=O)Nc1cnn(-c2cc(-c3c(F)cccc3C#N)nc3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1.CC(=O)Nc1cnn(-c2cc(-c3c(F)cccc3C#N)nc3c2C(=O)NC3)c1.CC(=O)Nc1cnn(Cc2ccccc2)c1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.Nc1cnn(Cc2ccccc2)c1.

What is the InChIKey of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide?

The InChIKey is UZZWUAXUJFHUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O4.C19H15ClFN3O3.C19H13FN6O2.C12H13N3O.C10H11N3.C5H7N3O/c1-13(32)28-15-10-27-31(11-15)19-8-17(20-14(9-26)6-5-7-16(20)25)29-18-12-30(22(33)21(18)19)23(34)35-24(2,3)4;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;1-10(27)24-12-7-23-26(9-12)16-5-14(25-15-8-22-19(28)18(15)16)17-11(6-21)3-2-4-13(17)20;1-10(16)14-12-7-13-15(9-12)8-11-5-3-2-4-6-11;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9;1-4(9)8-5-2-6-7-3-5/h5-8,10-11H,12H2,1-4H3,(H,28,32);4-7H,9H2,1-3H3;2-5,7,9H,8H2,1H3,(H,22,28)(H,24,27);2-7,9H,8H2,1H3,(H,14,16);1-6,8H,7,11H2;2-3H,1H3,(H,6,7)(H,8,9).

What are the key properties of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide?

1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 1754.22 g/mol, XLogP of 14.02, 13 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)acetamide;tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;N-[1-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-4-yl]acetamide;N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 161241081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).