2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine

C80H80ClF4N17O4 — CID 158857370

About 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine

2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine (PubChem CID 158857370) has the molecular formula C80H80ClF4N17O4 and a molecular weight of 1455.08 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine.

Molecular Properties

• Compound Name: 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine
• PubChem CID: 158857370
• Molecular Formula: C80H80ClF4N17O4
• Molecular Weight: 1455.08 g/mol
• Exact Mass: 1453.62
• IUPAC Name: 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine
• SMILES: C.C.C.COC(=O)c1ccc(CN(c2cc(-c3ccc(F)cc3)ccn2)c2ccn(C)n2)cc1.Cn1ccc(N(Cc2ccc(C(=O)NO)cc2)c2cc(-c3ccc(F)cc3)ccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1
• InChI: InChI=1S/C24H21FN4O2.C23H20FN5O2.C15H13FN4.C11H7ClFN.C4H7N3.3CH4/c1-28-14-12-22(27-28)29(16-17-3-5-19(6-4-17)24(30)31-2)23-15-20(11-13-26-23)18-7-9-21(25)10-8-18;1-28-13-11-21(26-28)29(15-16-2-4-18(5-3-16)23(30)27-31)22-14-19(10-12-25-22)17-6-8-20(24)9-7-17;1-20-9-7-14(19-20)18-15-10-12(6-8-17-15)11-2-4-13(16)5-3-11;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-7-3-2-4(5)6-7;;;/h3-15H,16H2,1-2H3;2-14,31H,15H2,1H3,(H,27,30);2-10H,1H3,(H,17,18,19);1-7H;2-3H,1H3,(H2,5,6);3*1H4
• InChIKey: JAFLZBUQBKVZBT-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.08
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine?

The IUPAC name of 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine (CID 158857370) is 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine.

What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine?

The canonical SMILES for 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine is C.C.C.COC(=O)c1ccc(CN(c2cc(-c3ccc(F)cc3)ccn2)c2ccn(C)n2)cc1.Cn1ccc(N(Cc2ccc(C(=O)NO)cc2)c2cc(-c3ccc(F)cc3)ccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.

What is the InChIKey of 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine?

The InChIKey is JAFLZBUQBKVZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2.C23H20FN5O2.C15H13FN4.C11H7ClFN.C4H7N3.3CH4/c1-28-14-12-22(27-28)29(16-17-3-5-19(6-4-17)24(30)31-2)23-15-20(11-13-26-23)18-7-9-21(25)10-8-18;1-28-13-11-21(26-28)29(15-16-2-4-18(5-3-16)23(30)27-31)22-14-19(10-12-25-22)17-6-8-20(24)9-7-17;1-20-9-7-14(19-20)18-15-10-12(6-8-17-15)11-2-4-13(16)5-3-11;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-7-3-2-4(5)6-7;;;/h3-15H,16H2,1-2H3;2-14,31H,15H2,1H3,(H,27,30);2-10H,1H3,(H,17,18,19);1-7H;2-3H,1H3,(H2,5,6);3*1H4.

What are the key properties of 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine?

2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine has a molecular weight of 1455.08 g/mol, XLogP of 17.64, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(4-fluorophenyl)pyridine;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine is sourced from PubChem (CID 158857370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).