azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene

C81H71BrN14O7 — CID 159651958

About azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene

azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene (PubChem CID 159651958) has the molecular formula C81H71BrN14O7 and a molecular weight of 1432.45 g/mol. Its IUPAC name is azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene.

Molecular Properties

• Compound Name: azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene
• PubChem CID: 159651958
• Molecular Formula: C81H71BrN14O7
• Molecular Weight: 1432.45 g/mol
• Exact Mass: 1430.48
• IUPAC Name: azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene
• SMILES: COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1.Cc1ccccc1.N.N#CCC(=O)c1ccccc1.Nc1cc(-c2ccccc2)nn1-c1ccccc1.O=C(O)c1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1
• InChI: InChI=1S/C22H18N4O2.C21H16N4O2.C15H13N3.C9H7NO.C7H6BrNO2.C7H8.H3N/c1-28-22(27)18-12-13-23-15-20(18)24-21-14-19(16-8-4-2-5-9-16)25-26(21)17-10-6-3-7-11-17;26-21(27)17-11-12-22-14-19(17)23-20-13-18(15-7-3-1-4-8-15)24-25(20)16-9-5-2-6-10-16;16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13;10-7-6-9(11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-7-5-3-2-4-6-7;/h2-15,24H,1H3;1-14,23H,(H,26,27);1-11H,16H2;1-5H,6H2;2-4H,1H3;2-6H,1H3;1H3
• InChIKey: JUUFUQVEXXHWBM-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 307.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.45
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene?

The IUPAC name of azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene (CID 159651958) is azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene.

What is the SMILES notation for azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene?

The canonical SMILES for azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene is COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1.Cc1ccccc1.N.N#CCC(=O)c1ccccc1.Nc1cc(-c2ccccc2)nn1-c1ccccc1.O=C(O)c1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1.

What is the InChIKey of azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene?

The InChIKey is JUUFUQVEXXHWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2.C21H16N4O2.C15H13N3.C9H7NO.C7H6BrNO2.C7H8.H3N/c1-28-22(27)18-12-13-23-15-20(18)24-21-14-19(16-8-4-2-5-9-16)25-26(21)17-10-6-3-7-11-17;26-21(27)17-11-12-22-14-19(17)23-20-13-18(15-7-3-1-4-8-15)24-25(20)16-9-5-2-6-10-16;16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13;10-7-6-9(11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-7-5-3-2-4-6-7;/h2-15,24H,1H3;1-14,23H,(H,26,27);1-11H,16H2;1-5H,6H2;2-4H,1H3;2-6H,1H3;1H3.

What are the key properties of azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene?

azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene has a molecular weight of 1432.45 g/mol, XLogP of 17.53, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene is sourced from PubChem (CID 159651958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).