N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone

C114H159N36O20S2- — CID 159424087

About N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone

N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 159424087) has the molecular formula C114H159N36O20S2- and a molecular weight of 2417.89 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone
• PubChem CID: 159424087
• Molecular Formula: C114H159N36O20S2-
• Molecular Weight: 2417.89 g/mol
• Exact Mass: 2416.20
• IUPAC Name: N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone
• SMILES: CC(=O)N(C)CCN(C)C(=O)n1cc(C)cn1.CC(=O)N1CCCN(C(=O)n2cc(C)cn2)CC1.CC(=O)N1CCN(C(=O)n2cc(C)cn2)CC1.Cc1cnn(C(=O)N(C)CCN(C)C(=O)c2ccccc2)c1.Cc1cnn(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1.Cc1cnn(C(=O)N2CCCN(CS(=O)[O-])CC2)c1.Cc1cnn(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1.Cc1cnn(C(=O)N2CCN(C)CC2)c1.Cc1cnn(C(=O)N2CCN(CS(=O)(=O)O)CC2)c1
• InChI: InChI=1S/C17H20N4O2.C16H18N4O2.C16H20N4O2.C12H18N4O2.C11H18N4O3S.C11H16N4O2.C11H18N4O2.C10H16N4O4S.C10H16N4O/c1-14-12-18-21(13-14)17(23)20-9-5-8-19(10-11-20)16(22)15-6-3-2-4-7-15;1-13-11-17-20(12-13)16(22)19-9-7-18(8-10-19)15(21)14-5-3-2-4-6-14;1-13-11-17-20(12-13)16(22)19(3)10-9-18(2)15(21)14-7-5-4-6-8-14;1-10-8-13-16(9-10)12(18)15-5-3-4-14(6-7-15)11(2)17;1-10-7-12-15(8-10)11(16)14-4-2-3-13(5-6-14)9-19(17)18;1-9-7-12-15(8-9)11(17)14-5-3-13(4-6-14)10(2)16;1-9-7-12-15(8-9)11(17)14(4)6-5-13(3)10(2)16;1-9-6-11-14(7-9)10(15)13-4-2-12(3-5-13)8-19(16,17)18;1-9-7-11-14(8-9)10(15)13-5-3-12(2)4-6-13/h2-4,6-7,12-13H,5,8-11H2,1H3;2-6,11-12H,7-10H2,1H3;4-8,11-12H,9-10H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,2-6,9H2,1H3,(H,17,18);7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,2-5,8H2,1H3,(H,16,17,18);7-8H,3-6H2,1-2H3/p-1
• InChIKey: LMFFGXHKVIFHMA-UHFFFAOYSA-M
• XLogP: 7.13
• TPSA: 569.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.89
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone?

The IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone (CID 159424087) is N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone.

What is the SMILES notation for N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone?

The canonical SMILES for N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone is CC(=O)N(C)CCN(C)C(=O)n1cc(C)cn1.CC(=O)N1CCCN(C(=O)n2cc(C)cn2)CC1.CC(=O)N1CCN(C(=O)n2cc(C)cn2)CC1.Cc1cnn(C(=O)N(C)CCN(C)C(=O)c2ccccc2)c1.Cc1cnn(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1.Cc1cnn(C(=O)N2CCCN(CS(=O)[O-])CC2)c1.Cc1cnn(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1.Cc1cnn(C(=O)N2CCN(C)CC2)c1.Cc1cnn(C(=O)N2CCN(CS(=O)(=O)O)CC2)c1.

What is the InChIKey of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone?

The InChIKey is LMFFGXHKVIFHMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20N4O2.C16H18N4O2.C16H20N4O2.C12H18N4O2.C11H18N4O3S.C11H16N4O2.C11H18N4O2.C10H16N4O4S.C10H16N4O/c1-14-12-18-21(13-14)17(23)20-9-5-8-19(10-11-20)16(22)15-6-3-2-4-7-15;1-13-11-17-20(12-13)16(22)19-9-7-18(8-10-19)15(21)14-5-3-2-4-6-14;1-13-11-17-20(12-13)16(22)19(3)10-9-18(2)15(21)14-7-5-4-6-8-14;1-10-8-13-16(9-10)12(18)15-5-3-4-14(6-7-15)11(2)17;1-10-7-12-15(8-10)11(16)14-4-2-3-13(5-6-14)9-19(17)18;1-9-7-12-15(8-9)11(17)14-5-3-13(4-6-14)10(2)16;1-9-7-12-15(8-9)11(17)14(4)6-5-13(3)10(2)16;1-9-6-11-14(7-9)10(15)13-4-2-12(3-5-13)8-19(16,17)18;1-9-7-11-14(8-9)10(15)13-5-3-12(2)4-6-13/h2-4,6-7,12-13H,5,8-11H2,1H3;2-6,11-12H,7-10H2,1H3;4-8,11-12H,9-10H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,2-6,9H2,1H3,(H,17,18);7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,2-5,8H2,1H3,(H,16,17,18);7-8H,3-6H2,1-2H3/p-1.

What are the key properties of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone?

N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 2417.89 g/mol, XLogP of 7.13, 13 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;N-[2-[benzoyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfonic acid;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 159424087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).