tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone

C159H212N36O20 — CID 160557118

About tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone

tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 160557118) has the molecular formula C159H212N36O20 and a molecular weight of 2947.68 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
• PubChem CID: 160557118
• Molecular Formula: C159H212N36O20
• Molecular Weight: 2947.68 g/mol
• Exact Mass: 2945.67
• IUPAC Name: tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
• SMILES: CC(C)(C)OC(=O)N1CCCN(C(=O)n2cccn2)CC1.CN(CCN(C)C(=O)n1cccn1)C(=O)OC(C)(C)C.Cc1cnn(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1.Cc1cnn(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1.O=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1
• InChI: InChI=1S/C23H26N4O2.2C22H24N4O.C21H22N4O.2C15H24N4O3.C14H22N4O3.C14H24N4O3.C13H22N4O3/c1-19-15-24-27(16-19)23(28)26-13-11-25(12-14-26)17-20-7-9-22(10-8-20)29-18-21-5-3-2-4-6-21;2*1-18-15-23-26(16-18)22(27)25-13-11-24(12-14-25)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20;26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)19-5-2-1-3-6-19;2*1-12-10-16-19(11-12)13(20)17-6-5-7-18(9-8-17)14(21)22-15(2,3)4;1-14(2,3)21-13(20)17-8-5-7-16(10-11-17)12(19)18-9-4-6-15-18;1-11-9-15-18(10-11)12(19)16(5)7-8-17(6)13(20)21-14(2,3)4;1-13(2,3)20-12(19)16(5)10-9-15(4)11(18)17-8-6-7-14-17/h2-10,15-16H,11-14,17-18H2,1H3;2*2-10,15-16H,11-14,17H2,1H3;1-12H,13-17H2;2*10-11H,5-9H2,1-4H3;4,6,9H,5,7-8,10-11H2,1-3H3;9-10H,7-8H2,1-6H3;6-8H,9-10H2,1-5H3
• InChIKey: QYVHHJGOAKOIJW-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 513.06 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 20
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2947.68
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?

The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (CID 160557118) is tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.

What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?

The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is CC(C)(C)OC(=O)N1CCCN(C(=O)n2cccn2)CC1.CN(CCN(C)C(=O)n1cccn1)C(=O)OC(C)(C)C.Cc1cnn(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1.Cc1cnn(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1.O=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1.

What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?

The InChIKey is QYVHHJGOAKOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.2C22H24N4O.C21H22N4O.2C15H24N4O3.C14H22N4O3.C14H24N4O3.C13H22N4O3/c1-19-15-24-27(16-19)23(28)26-13-11-25(12-14-26)17-20-7-9-22(10-8-20)29-18-21-5-3-2-4-6-21;2*1-18-15-23-26(16-18)22(27)25-13-11-24(12-14-25)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20;26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)19-5-2-1-3-6-19;2*1-12-10-16-19(11-12)13(20)17-6-5-7-18(9-8-17)14(21)22-15(2,3)4;1-14(2,3)21-13(20)17-8-5-7-16(10-11-17)12(19)18-9-4-6-15-18;1-11-9-15-18(10-11)12(19)16(5)7-8-17(6)13(20)21-14(2,3)4;1-13(2,3)20-12(19)16(5)10-9-15(4)11(18)17-8-6-7-14-17/h2-10,15-16H,11-14,17-18H2,1H3;2*2-10,15-16H,11-14,17H2,1H3;1-12H,13-17H2;2*10-11H,5-9H2,1-4H3;4,6,9H,5,7-8,10-11H2,1-3H3;9-10H,7-8H2,1-6H3;6-8H,9-10H2,1-5H3.

What are the key properties of tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?

tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone has a molecular weight of 2947.68 g/mol, XLogP of 23.79, 20 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate;bis(tert-butyl 4-(4-methylpyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate);tert-butyl 4-(pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate;(4-methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone;bis((4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone);[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 160557118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).