bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride

C86H110Cl16N20O10 — CID 157207625

IUPACbis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride
SMILESCC(C)(C)OC(=O)NCCCN.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)Cl)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)NCCCN=C(N)N)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(Cl)CC1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
InChIInChI=1S/C24H33Cl2N5O3.C20H27Cl2N7O.C16H16Cl3N3O.C15H16Cl3N3.C8H18N2O2.C3Cl6O3/c1-24(2,3)34-23(33)28-12-6-11-27-22(32)31-13-9-16(10-14-31)20-15-19(29-30(20)4)17-7-5-8-18(25)21(17)26;1-28-17(12-16(27-28)14-4-2-5-15(21)18(14)22)13-6-10-29(11-7-13)20(30)26-9-3-8-25-19(23)24;1-21-14(10-5-7-22(8-6-10)16(19)23)9-13(20-21)11-3-2-4-12(17)15(11)18;1-20-14(10-5-7-21(18)8-6-10)9-13(19-20)11-3-2-4-12(16)15(11)17;1-8(2,3)12-7(11)10-6-4-5-9;4-2(5,6)11-1(10)12-3(7,8)9/h5,7-8,15-16H,6,9-14H2,1-4H3,(H,27,32)(H,28,33);2,4-5,12-13H,3,6-11H2,1H3,(H,26,30)(H4,23,24,25);2-4,9-10H,5-8H2,1H3;2-4,9-10H,5-8H2,1H3;4-6,9H2,1-3H3,(H,10,11);
InChIKeyARNKEFDQVZUDRP-UHFFFAOYSA-N
MW2151.20 g/mol
LogP22.46
Rot. Bonds19

About bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride

bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride (PubChem CID 157207625) has the molecular formula C86H110Cl16N20O10 and a molecular weight of 2151.20 g/mol. Its IUPAC name is bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride.

Molecular Properties

Compound Namebis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride
PubChem CID157207625
Molecular FormulaC86H110Cl16N20O10
Molecular Weight2151.20 g/mol
Exact Mass2142.37
IUPAC Namebis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride
SMILESCC(C)(C)OC(=O)NCCCN.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)Cl)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)NCCCN=C(N)N)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(Cl)CC1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
InChIInChI=1S/C24H33Cl2N5O3.C20H27Cl2N7O.C16H16Cl3N3O.C15H16Cl3N3.C8H18N2O2.C3Cl6O3/c1-24(2,3)34-23(33)28-12-6-11-27-22(32)31-13-9-16(10-14-31)20-15-19(29-30(20)4)17-7-5-8-18(25)21(17)26;1-28-17(12-16(27-28)14-4-2-5-15(21)18(14)22)13-6-10-29(11-7-13)20(30)26-9-3-8-25-19(23)24;1-21-14(10-5-7-22(8-6-10)16(19)23)9-13(20-21)11-3-2-4-12(17)15(11)18;1-20-14(10-5-7-21(18)8-6-10)9-13(19-20)11-3-2-4-12(16)15(11)17;1-8(2,3)12-7(11)10-6-4-5-9;4-2(5,6)11-1(10)12-3(7,8)9/h5,7-8,15-16H,6,9-14H2,1-4H3,(H,27,32)(H,28,33);2,4-5,12-13H,3,6-11H2,1H3,(H,26,30)(H4,23,24,25);2-4,9-10H,5-8H2,1H3;2-4,9-10H,5-8H2,1H3;4-6,9H2,1-3H3,(H,10,11);
InChIKeyARNKEFDQVZUDRP-UHFFFAOYSA-N
XLogP22.46
TPSA362.12 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002151.20
LogP ≤ 522.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride?
The IUPAC name of bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride (CID 157207625) is bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride.
What is the SMILES notation for bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride?
The canonical SMILES for bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride is CC(C)(C)OC(=O)NCCCN.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)Cl)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)NCCCN=C(N)N)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)CC1.Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(Cl)CC1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl.
What is the InChIKey of bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride?
The InChIKey is ARNKEFDQVZUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl2N5O3.C20H27Cl2N7O.C16H16Cl3N3O.C15H16Cl3N3.C8H18N2O2.C3Cl6O3/c1-24(2,3)34-23(33)28-12-6-11-27-22(32)31-13-9-16(10-14-31)20-15-19(29-30(20)4)17-7-5-8-18(25)21(17)26;1-28-17(12-16(27-28)14-4-2-5-15(21)18(14)22)13-6-10-29(11-7-13)20(30)26-9-3-8-25-19(23)24;1-21-14(10-5-7-22(8-6-10)16(19)23)9-13(20-21)11-3-2-4-12(17)15(11)18;1-20-14(10-5-7-21(18)8-6-10)9-13(19-20)11-3-2-4-12(16)15(11)17;1-8(2,3)12-7(11)10-6-4-5-9;4-2(5,6)11-1(10)12-3(7,8)9/h5,7-8,15-16H,6,9-14H2,1-4H3,(H,27,32)(H,28,33);2,4-5,12-13H,3,6-11H2,1H3,(H,26,30)(H4,23,24,25);2-4,9-10H,5-8H2,1H3;2-4,9-10H,5-8H2,1H3;4-6,9H2,1-3H3,(H,10,11);.
What are the key properties of bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride?
bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride has a molecular weight of 2151.20 g/mol, XLogP of 22.46, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trichloromethyl) carbonate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl]amino]propyl]carbamate;1-chloro-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine;N-[3-(diaminomethylideneamino)propyl]-4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carboxamide;4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidine-1-carbonyl chloride is sourced from PubChem (CID 157207625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).