N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride

C128H139Cl3F5N23O10S — CID 160573906

About N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride

N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride (PubChem CID 160573906) has the molecular formula C128H139Cl3F5N23O10S and a molecular weight of 2393.09 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride.

Molecular Properties

• Compound Name: N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride
• PubChem CID: 160573906
• Molecular Formula: C128H139Cl3F5N23O10S
• Molecular Weight: 2393.09 g/mol
• Exact Mass: 2389.98
• IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride
• SMILES: C.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.NCCNCCN.Nc1cc(C(O)CCC2CC2)ccc1F.O=S(Cl)Cl.O=c1cccc[nH]1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(Cl)CCC3CC3)ccc2F)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(O)CCC3CC3)ccc2F)c1
• InChI: InChI=1S/C29H26FN5O2.C29H30FN5O2.C24H22ClFN4O.C24H23FN4O2.C12H16FNO.C5H5NO.C4H13N3.CH4.Cl2OS/c1-19-16-27(35(33-19)23-7-5-6-22(18-23)31-2)29(37)32-25-17-21(12-13-24(25)30)26(14-11-20-9-10-20)34-15-4-3-8-28(34)36;1-19-15-27(35(33-19)23-6-4-5-21(16-23)18-31)29(37)32-25-17-22(11-12-24(25)30)26(13-10-20-8-9-20)34-14-3-2-7-28(34)36;1-15-12-23(30(29-15)19-5-3-4-18(14-19)27-2)24(31)28-22-13-17(9-11-21(22)26)20(25)10-8-16-6-7-16;1-15-12-22(29(28-15)19-5-3-4-18(14-19)26-2)24(31)27-21-13-17(9-10-20(21)25)23(30)11-8-16-6-7-16;13-10-5-4-9(7-11(10)14)12(15)6-3-8-1-2-8;7-5-3-1-2-4-6-5;5-1-3-7-4-2-6;;1-4(2)3/h3-8,12-13,15-18,20,26H,9-11,14H2,1H3,(H,32,37);2-7,11-12,14-17,20,26H,8-10,13,18,31H2,1H3,(H,32,37);3-5,9,11-14,16,20H,6-8,10H2,1H3,(H,28,31);3-5,9-10,12-14,16,23,30H,6-8,11H2,1H3,(H,27,31);4-5,7-8,12,15H,1-3,6,14H2;1-4H,(H,6,7);7H,1-6H2;1H4
• InChIKey: RAWXZLVSFUGDGF-UHFFFAOYSA-N
• XLogP: 26.15
• TPSA: 451.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 39
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2393.09
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride?

The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride (CID 160573906) is N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride.

What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride?

The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride is C.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.NCCNCCN.Nc1cc(C(O)CCC2CC2)ccc1F.O=S(Cl)Cl.O=c1cccc[nH]1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(Cl)CCC3CC3)ccc2F)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(O)CCC3CC3)ccc2F)c1.

What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride?

The InChIKey is RAWXZLVSFUGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2.C29H30FN5O2.C24H22ClFN4O.C24H23FN4O2.C12H16FNO.C5H5NO.C4H13N3.CH4.Cl2OS/c1-19-16-27(35(33-19)23-7-5-6-22(18-23)31-2)29(37)32-25-17-21(12-13-24(25)30)26(14-11-20-9-10-20)34-15-4-3-8-28(34)36;1-19-15-27(35(33-19)23-6-4-5-21(16-23)18-31)29(37)32-25-17-22(11-12-24(25)30)26(13-10-20-8-9-20)34-14-3-2-7-28(34)36;1-15-12-23(30(29-15)19-5-3-4-18(14-19)27-2)24(31)28-22-13-17(9-11-21(22)26)20(25)10-8-16-6-7-16;1-15-12-22(29(28-15)19-5-3-4-18(14-19)26-2)24(31)27-21-13-17(9-10-20(21)25)23(30)11-8-16-6-7-16;13-10-5-4-9(7-11(10)14)12(15)6-3-8-1-2-8;7-5-3-1-2-4-6-5;5-1-3-7-4-2-6;;1-4(2)3/h3-8,12-13,15-18,20,26H,9-11,14H2,1H3,(H,32,37);2-7,11-12,14-17,20,26H,8-10,13,18,31H2,1H3,(H,32,37);3-5,9,11-14,16,20H,6-8,10H2,1H3,(H,28,31);3-5,9-10,12-14,16,23,30H,6-8,11H2,1H3,(H,27,31);4-5,7-8,12,15H,1-3,6,14H2;1-4H,(H,6,7);7H,1-6H2;1H4;.

What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride?

N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride has a molecular weight of 2393.09 g/mol, XLogP of 26.15, 39 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride is sourced from PubChem (CID 160573906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).