N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride

C51H52Cl2N18O4S6 — CID 158311786

About N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride

N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride (PubChem CID 158311786) has the molecular formula C51H52Cl2N18O4S6 and a molecular weight of 1244.41 g/mol. Its IUPAC name is N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride.

Molecular Properties

• Compound Name: N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride
• PubChem CID: 158311786
• Molecular Formula: C51H52Cl2N18O4S6
• Molecular Weight: 1244.41 g/mol
• Exact Mass: 1242.21
• IUPAC Name: N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride
• SMILES: CC(C)(C)OC(=O)n1cc(-c2cccs2)c(N)n1.Cl.Cl.Nc1[nH]ncc1-c1cccs1.O=C(Nc1[nH]ncc1-c1cccs1)C(=O)Nc1[nH]ncc1-c1cccs1.c1csc(-c2cn[nH]c2NCCNc2[nH]ncc2-c2cccs2)c1
• InChI: InChI=1S/C16H12N6O2S2.C16H16N6S2.C12H15N3O2S.C7H7N3S.2ClH/c23-15(19-13-9(7-17-21-13)11-3-1-5-25-11)16(24)20-14-10(8-18-22-14)12-4-2-6-26-12;1-3-13(23-7-1)11-9-19-21-15(11)17-5-6-18-16-12(10-20-22-16)14-4-2-8-24-14;1-12(2,3)17-11(16)15-7-8(10(13)14-15)9-5-4-6-18-9;8-7-5(4-9-10-7)6-2-1-3-11-6;;/h1-8H,(H2,17,19,21,23)(H2,18,20,22,24);1-4,7-10H,5-6H2,(H2,17,19,21)(H2,18,20,22);4-7H,1-3H3,(H2,13,14);1-4H,(H3,8,9,10);2*1H
• InChIKey: JEEOKLUISLJDID-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 321.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1244.41
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride?

The IUPAC name of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride (CID 158311786) is N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride.

What is the SMILES notation for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride?

The canonical SMILES for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride is CC(C)(C)OC(=O)n1cc(-c2cccs2)c(N)n1.Cl.Cl.Nc1[nH]ncc1-c1cccs1.O=C(Nc1[nH]ncc1-c1cccs1)C(=O)Nc1[nH]ncc1-c1cccs1.c1csc(-c2cn[nH]c2NCCNc2[nH]ncc2-c2cccs2)c1.

What is the InChIKey of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride?

The InChIKey is JEEOKLUISLJDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S2.C16H16N6S2.C12H15N3O2S.C7H7N3S.2ClH/c23-15(19-13-9(7-17-21-13)11-3-1-5-25-11)16(24)20-14-10(8-18-22-14)12-4-2-6-26-12;1-3-13(23-7-1)11-9-19-21-15(11)17-5-6-18-16-12(10-20-22-16)14-4-2-8-24-14;1-12(2,3)17-11(16)15-7-8(10(13)14-15)9-5-4-6-18-9;8-7-5(4-9-10-7)6-2-1-3-11-6;;/h1-8H,(H2,17,19,21,23)(H2,18,20,22,24);1-4,7-10H,5-6H2,(H2,17,19,21)(H2,18,20,22);4-7H,1-3H3,(H2,13,14);1-4H,(H3,8,9,10);2*1H.

What are the key properties of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride?

N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride has a molecular weight of 1244.41 g/mol, XLogP of 12.82, 13 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide;tert-butyl 3-amino-4-thiophen-2-ylpyrazole-1-carboxylate;4-thiophen-2-yl-1H-pyrazol-5-amine;dihydrochloride is sourced from PubChem (CID 158311786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).