5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid

C35H36Cl2N8O3 — CID 167574308

About 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid

5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid (PubChem CID 167574308) has the molecular formula C35H36Cl2N8O3 and a molecular weight of 687.63 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid
• PubChem CID: 167574308
• Molecular Formula: C35H36Cl2N8O3
• Molecular Weight: 687.63 g/mol
• Exact Mass: 686.23
• IUPAC Name: 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid
• SMILES: C.Cn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1.Cn1ccc(C(=O)O)n1.Nc1ccc(Cc2cccc(Cl)c2)cn1
• InChI: InChI=1S/C17H15ClN4O.C12H11ClN2.C5H6N2O2.CH4/c1-22-8-7-15(21-22)17(23)20-16-6-5-13(11-19-16)9-12-3-2-4-14(18)10-12;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;1-7-3-2-4(6-7)5(8)9;/h2-8,10-11H,9H2,1H3,(H,19,20,23);1-5,7-8H,6H2,(H2,14,15);2-3H,1H3,(H,8,9);1H4
• InChIKey: GHYIMSZHRURCOF-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 153.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.63
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid?

The IUPAC name of 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid (CID 167574308) is 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid.

What is the SMILES notation for 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid?

The canonical SMILES for 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid is C.Cn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1.Cn1ccc(C(=O)O)n1.Nc1ccc(Cc2cccc(Cl)c2)cn1.

What is the InChIKey of 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid?

The InChIKey is GHYIMSZHRURCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O.C12H11ClN2.C5H6N2O2.CH4/c1-22-8-7-15(21-22)17(23)20-16-6-5-13(11-19-16)9-12-3-2-4-14(18)10-12;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;1-7-3-2-4(6-7)5(8)9;/h2-8,10-11H,9H2,1H3,(H,19,20,23);1-5,7-8H,6H2,(H2,14,15);2-3H,1H3,(H,8,9);1H4.

What are the key properties of 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid?

5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid has a molecular weight of 687.63 g/mol, XLogP of 6.97, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 167574308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).