N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane

C92H104N18O4 — CID 157420355

About N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane

N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane (PubChem CID 157420355) has the molecular formula C92H104N18O4 and a molecular weight of 1525.97 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane.

Molecular Properties

• Compound Name: N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane
• PubChem CID: 157420355
• Molecular Formula: C92H104N18O4
• Molecular Weight: 1525.97 g/mol
• Exact Mass: 1524.85
• IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane
• SMILES: C.Cc1cc(C(=O)Nc2cccc(N(CCC3CC3)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.NCCNCCN.Nc1cccc(N(CCC2CC2)c2ccccc2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(N(CCC3CC3)c3ccccc3)c2)c1
• InChI: InChI=1S/C29H27N5O.C29H31N5O.C17H20N2.C12H9N3O2.C4H13N3.CH4/c1-21-18-28(34(32-21)27-13-6-8-23(19-27)30-2)29(35)31-24-9-7-12-26(20-24)33(17-16-22-14-15-22)25-10-4-3-5-11-25;1-21-17-28(34(32-21)27-12-5-7-23(18-27)20-30)29(35)31-24-8-6-11-26(19-24)33(16-15-22-13-14-22)25-9-3-2-4-10-25;18-15-5-4-8-17(13-15)19(12-11-14-9-10-14)16-6-2-1-3-7-16;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;5-1-3-7-4-2-6;/h3-13,18-20,22H,14-17H2,1H3,(H,31,35);2-12,17-19,22H,13-16,20,30H2,1H3,(H,31,35);1-8,13-14H,9-12,18H2;2-6H,1H3,(H,16,17);7H,1-6H2;1H4
• InChIKey: BPIGZMSUYVTPAE-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 302.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1525.97
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane?

The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane (CID 157420355) is N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane.

What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane?

The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane is C.Cc1cc(C(=O)Nc2cccc(N(CCC3CC3)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.NCCNCCN.Nc1cccc(N(CCC2CC2)c2ccccc2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(N(CCC3CC3)c3ccccc3)c2)c1.

What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane?

The InChIKey is BPIGZMSUYVTPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O.C29H31N5O.C17H20N2.C12H9N3O2.C4H13N3.CH4/c1-21-18-28(34(32-21)27-13-6-8-23(19-27)30-2)29(35)31-24-9-7-12-26(20-24)33(17-16-22-14-15-22)25-10-4-3-5-11-25;1-21-17-28(34(32-21)27-12-5-7-23(18-27)20-30)29(35)31-24-8-6-11-26(19-24)33(16-15-22-13-14-22)25-9-3-2-4-10-25;18-15-5-4-8-17(13-15)19(12-11-14-9-10-14)16-6-2-1-3-7-16;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;5-1-3-7-4-2-6;/h3-13,18-20,22H,14-17H2,1H3,(H,31,35);2-12,17-19,22H,13-16,20,30H2,1H3,(H,31,35);1-8,13-14H,9-12,18H2;2-6H,1H3,(H,16,17);7H,1-6H2;1H4.

What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane?

N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane has a molecular weight of 1525.97 g/mol, XLogP of 17.84, 28 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane is sourced from PubChem (CID 157420355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).