5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride

C83H78ClF9N26O9 — CID 158243359

About 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride

5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride (PubChem CID 158243359) has the molecular formula C83H78ClF9N26O9 and a molecular weight of 1790.14 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
• PubChem CID: 158243359
• Molecular Formula: C83H78ClF9N26O9
• Molecular Weight: 1790.14 g/mol
• Exact Mass: 1788.60
• IUPAC Name: 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1.CC=C(C#N)C#N.Cl.N#Cc1cnn(-c2ccc(F)cc2)c1N.NC(=O)c1cnn(-c2ccc(F)cc2)c1N.NNc1ccc(F)cc1.O=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1)C(F)(F)F.O=c1[nH]cnc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C22H26FN5O4.C19H17F4N5O3.C11H7FN4O.C10H9FN4O.C10H7FN4.C6H7FN2.C5H4N2.ClH/c1-21(2,3)32-20(30)26-10-8-22(31,9-11-26)13-27-14-24-18-17(19(27)29)12-25-28(18)16-6-4-15(23)5-7-16;20-12-1-3-13(4-2-12)28-15-14(9-25-28)16(29)27(11-24-15)10-18(31)5-7-26(8-6-18)17(30)19(21,22)23;12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10;11-6-1-3-7(4-2-6)15-9(12)8(5-14-15)10(13)16;11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15;7-5-1-3-6(9-8)4-2-5;1-2-5(3-6)4-7;/h4-7,12,14,31H,8-11,13H2,1-3H3;1-4,9,11,31H,5-8,10H2;1-6H,(H,13,14,17);1-5H,12H2,(H2,13,16);1-4,6H,13H2;1-4,9H,8H2;2H,1H3;1H
• InChIKey: KLKZNVGFKJWQFT-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 499.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1790.14
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?

The IUPAC name of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride (CID 158243359) is 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride.

What is the SMILES notation for 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?

The canonical SMILES for 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride is CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1.CC=C(C#N)C#N.Cl.N#Cc1cnn(-c2ccc(F)cc2)c1N.NC(=O)c1cnn(-c2ccc(F)cc2)c1N.NNc1ccc(F)cc1.O=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1)C(F)(F)F.O=c1[nH]cnc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?

The InChIKey is KLKZNVGFKJWQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4.C19H17F4N5O3.C11H7FN4O.C10H9FN4O.C10H7FN4.C6H7FN2.C5H4N2.ClH/c1-21(2,3)32-20(30)26-10-8-22(31,9-11-26)13-27-14-24-18-17(19(27)29)12-25-28(18)16-6-4-15(23)5-7-16;20-12-1-3-13(4-2-12)28-15-14(9-25-28)16(29)27(11-24-15)10-18(31)5-7-26(8-6-18)17(30)19(21,22)23;12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10;11-6-1-3-7(4-2-6)15-9(12)8(5-14-15)10(13)16;11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15;7-5-1-3-6(9-8)4-2-5;1-2-5(3-6)4-7;/h4-7,12,14,31H,8-11,13H2,1-3H3;1-4,9,11,31H,5-8,10H2;1-6H,(H,13,14,17);1-5H,12H2,(H2,13,16);1-4,6H,13H2;1-4,9H,8H2;2H,1H3;1H.

What are the key properties of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?

5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride has a molecular weight of 1790.14 g/mol, XLogP of 10.04, 11 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile;5-amino-1-(4-fluorophenyl)pyrazole-4-carboxamide;tert-butyl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;2-ethylidenepropanedinitrile;(4-fluorophenyl)hydrazine;1-(4-fluorophenyl)-5-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 158243359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).