1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate

C135H168BrN29O11 — CID 159342175

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

1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate (PubChem CID 159342175) has the molecular formula C135H168BrN29O11 and a molecular weight of 2452.92 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
• PubChem CID: 159342175
• Molecular Formula: C135H168BrN29O11
• Molecular Weight: 2452.92 g/mol
• Exact Mass: 2450.27
• IUPAC Name: 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
• SMILES: CN(C)CCCNN.CN(C)CCCn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1.CN(C)CCCn1cc(-c2ccccc2)c(N)n1.CN(C)CCCn1ncc(-c2ccccc2)c1Cc1cnccc1C(=O)O.CN(C)CCCn1ncc(-c2ccccc2)c1N.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1CCCN(C)C.COC(=O)c1ccncc1Cc1nn(CCCN(C)C)cc1-c1ccccc1.N#C/C(=C/O)c1ccccc1
• InChI: InChI=1S/2C22H26N4O2.2C21H24N4O2.2C14H20N4.C9H7NO.C7H6BrNO2.C5H15N3/c1-25(2)12-7-13-26-16-20(17-8-5-4-6-9-17)21(24-26)14-18-15-23-11-10-19(18)22(27)28-3;1-25(2)12-7-13-26-21(20(16-24-26)17-8-5-4-6-9-17)14-18-15-23-11-10-19(18)22(27)28-3;1-24(2)11-6-12-25-15-19(16-7-4-3-5-8-16)20(23-25)13-17-14-22-10-9-18(17)21(26)27;1-24(2)11-6-12-25-20(13-17-14-22-10-9-18(17)21(26)27)19(15-23-25)16-7-4-3-5-8-16;1-17(2)9-6-10-18-11-13(14(15)16-18)12-7-4-3-5-8-12;1-17(2)9-6-10-18-14(15)13(11-16-18)12-7-4-3-5-8-12;10-6-9(7-11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-8(2)5-3-4-7-6/h2*4-6,8-11,15-16H,7,12-14H2,1-3H3;2*3-5,7-10,14-15H,6,11-13H2,1-2H3,(H,26,27);3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,16);3-5,7-8,11H,6,9-10,15H2,1-2H3;1-5,7,11H;2-4H,1H3;7H,3-6H2,1-2H3/b;;;;;;9-7-
• InChIKey: LGGSMQWHKLLOAQ-LZAASBGLSA-N
• XLogP: 20.23
• TPSA: 481.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2452.92
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate (CID 159342175) is 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate.

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

The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate is CN(C)CCCNN.CN(C)CCCn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1.CN(C)CCCn1cc(-c2ccccc2)c(N)n1.CN(C)CCCn1ncc(-c2ccccc2)c1Cc1cnccc1C(=O)O.CN(C)CCCn1ncc(-c2ccccc2)c1N.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1CCCN(C)C.COC(=O)c1ccncc1Cc1nn(CCCN(C)C)cc1-c1ccccc1.N#C/C(=C/O)c1ccccc1.

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

The InChIKey is LGGSMQWHKLLOAQ-LZAASBGLSA-N. The full InChI is InChI=1S/2C22H26N4O2.2C21H24N4O2.2C14H20N4.C9H7NO.C7H6BrNO2.C5H15N3/c1-25(2)12-7-13-26-16-20(17-8-5-4-6-9-17)21(24-26)14-18-15-23-11-10-19(18)22(27)28-3;1-25(2)12-7-13-26-21(20(16-24-26)17-8-5-4-6-9-17)14-18-15-23-11-10-19(18)22(27)28-3;1-24(2)11-6-12-25-15-19(16-7-4-3-5-8-16)20(23-25)13-17-14-22-10-9-18(17)21(26)27;1-24(2)11-6-12-25-20(13-17-14-22-10-9-18(17)21(26)27)19(15-23-25)16-7-4-3-5-8-16;1-17(2)9-6-10-18-11-13(14(15)16-18)12-7-4-3-5-8-12;1-17(2)9-6-10-18-14(15)13(11-16-18)12-7-4-3-5-8-12;10-6-9(7-11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-8(2)5-3-4-7-6/h2*4-6,8-11,15-16H,7,12-14H2,1-3H3;2*3-5,7-10,14-15H,6,11-13H2,1-2H3,(H,26,27);3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,16);3-5,7-8,11H,6,9-10,15H2,1-2H3;1-5,7,11H;2-4H,1H3;7H,3-6H2,1-2H3/b;;;;;;9-7-;;.

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

1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate has a molecular weight of 2452.92 g/mol, XLogP of 20.23, 48 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-amine;1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-amine;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-hydrazinyl-N,N-dimethylpropan-1-amine;(E)-3-hydroxy-2-phenylprop-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[3-(dimethylamino)propyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 159342175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).