1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate

C129H155BrN28O11 — CID 158546115

About 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate

1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate (PubChem CID 158546115) has the molecular formula C129H155BrN28O11 and a molecular weight of 2353.75 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
• PubChem CID: 158546115
• Molecular Formula: C129H155BrN28O11
• Molecular Weight: 2353.75 g/mol
• Exact Mass: 2351.16
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
• SMILES: CN(C)CCCN.CN(C)CCn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1.CN(C)CCn1cc(-c2ccccc2)c(N)n1.CN(C)CCn1ncc(-c2ccccc2)c1Cc1cnccc1C(=O)O.CN(C)CCn1ncc(-c2ccccc2)c1N.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1CCN(C)C.COC(=O)c1ccncc1Cc1nn(CCN(C)C)cc1-c1ccccc1.N#C/C(=C/O)c1ccccc1
• InChI: InChI=1S/2C21H24N4O2.2C20H22N4O2.2C13H18N4.C9H7NO.C7H6BrNO2.C5H14N2/c1-24(2)11-12-25-15-19(16-7-5-4-6-8-16)20(23-25)13-17-14-22-10-9-18(17)21(26)27-3;1-24(2)11-12-25-20(19(15-23-25)16-7-5-4-6-8-16)13-17-14-22-10-9-18(17)21(26)27-3;1-23(2)10-11-24-14-18(15-6-4-3-5-7-15)19(22-24)12-16-13-21-9-8-17(16)20(25)26;1-23(2)10-11-24-19(12-16-13-21-9-8-17(16)20(25)26)18(14-22-24)15-6-4-3-5-7-15;1-16(2)8-9-17-10-12(13(14)15-17)11-6-4-3-5-7-11;1-16(2)8-9-17-13(14)12(10-15-17)11-6-4-3-5-7-11;10-6-9(7-11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-7(2)5-3-4-6/h2*4-10,14-15H,11-13H2,1-3H3;2*3-9,13-14H,10-12H2,1-2H3,(H,25,26);3-7,10H,8-9H2,1-2H3,(H2,14,15);3-7,10H,8-9,14H2,1-2H3;1-5,7,11H;2-4H,1H3;3-6H2,1-2H3/b;;;;;;9-7-
• InChIKey: HPDBQAZTJSUYEJ-LZAASBGLSA-N
• XLogP: 18.38
• TPSA: 469.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.75
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate (CID 158546115) is 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate is CN(C)CCCN.CN(C)CCn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1.CN(C)CCn1cc(-c2ccccc2)c(N)n1.CN(C)CCn1ncc(-c2ccccc2)c1Cc1cnccc1C(=O)O.CN(C)CCn1ncc(-c2ccccc2)c1N.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1CCN(C)C.COC(=O)c1ccncc1Cc1nn(CCN(C)C)cc1-c1ccccc1.N#C/C(=C/O)c1ccccc1.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?

The InChIKey is HPDBQAZTJSUYEJ-LZAASBGLSA-N. The full InChI is InChI=1S/2C21H24N4O2.2C20H22N4O2.2C13H18N4.C9H7NO.C7H6BrNO2.C5H14N2/c1-24(2)11-12-25-15-19(16-7-5-4-6-8-16)20(23-25)13-17-14-22-10-9-18(17)21(26)27-3;1-24(2)11-12-25-20(19(15-23-25)16-7-5-4-6-8-16)13-17-14-22-10-9-18(17)21(26)27-3;1-23(2)10-11-24-14-18(15-6-4-3-5-7-15)19(22-24)12-16-13-21-9-8-17(16)20(25)26;1-23(2)10-11-24-19(12-16-13-21-9-8-17(16)20(25)26)18(14-22-24)15-6-4-3-5-7-15;1-16(2)8-9-17-10-12(13(14)15-17)11-6-4-3-5-7-11;1-16(2)8-9-17-13(14)12(10-15-17)11-6-4-3-5-7-11;10-6-9(7-11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-7(2)5-3-4-6/h2*4-10,14-15H,11-13H2,1-3H3;2*3-9,13-14H,10-12H2,1-2H3,(H,25,26);3-7,10H,8-9H2,1-2H3,(H2,14,15);3-7,10H,8-9,14H2,1-2H3;1-5,7,11H;2-4H,1H3;3-6H2,1-2H3/b;;;;;;9-7-;;.

What are the key properties of 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?

1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate has a molecular weight of 2353.75 g/mol, XLogP of 18.38, 41 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-amine;1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-amine;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;N',N'-dimethylpropane-1,3-diamine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[2-(dimethylamino)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 158546115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).