4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate

C60H64Cl6N14O6 — CID 159716986

About 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate

4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate (PubChem CID 159716986) has the molecular formula C60H64Cl6N14O6 and a molecular weight of 1289.98 g/mol. Its IUPAC name is 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate
• PubChem CID: 159716986
• Molecular Formula: C60H64Cl6N14O6
• Molecular Weight: 1289.98 g/mol
• Exact Mass: 1286.33
• IUPAC Name: 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate
• SMILES: CCOC(=O)c1ccn(-c2cc(C)cc(Cl)n2)n1.CCOC(=O)c1ccn[nH]1.Cc1cc(Cl)nc(-n2ccc(C(C)(C)O)n2)c1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(C(C)(C)O)n2)c1.Nc1ccc(Cl)cc1
• InChI: InChI=1S/C18H19ClN4O.C12H12ClN3O2.C12H14ClN3O.C6H5Cl2N.C6H6ClN.C6H8N2O2/c1-12-10-16(20-14-6-4-13(19)5-7-14)21-17(11-12)23-9-8-15(22-23)18(2,3)24;1-3-18-12(17)9-4-5-16(15-9)11-7-8(2)6-10(13)14-11;1-8-6-10(13)14-11(7-8)16-5-4-9(15-16)12(2,3)17;1-4-2-5(7)9-6(8)3-4;7-5-1-3-6(8)4-2-5;1-2-10-6(9)5-3-4-7-8-5/h4-11,24H,1-3H3,(H,20,21);4-7H,3H2,1-2H3;4-7,17H,1-3H3;2-3H,1H3;1-4H,8H2;3-4H,2H2,1H3,(H,7,8)
• InChIKey: MZOCXIBQPSCWIC-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 264.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.98
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate?

The IUPAC name of 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate (CID 159716986) is 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate.

What is the SMILES notation for 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate?

The canonical SMILES for 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate is CCOC(=O)c1ccn(-c2cc(C)cc(Cl)n2)n1.CCOC(=O)c1ccn[nH]1.Cc1cc(Cl)nc(-n2ccc(C(C)(C)O)n2)c1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(C(C)(C)O)n2)c1.Nc1ccc(Cl)cc1.

What is the InChIKey of 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate?

The InChIKey is MZOCXIBQPSCWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O.C12H12ClN3O2.C12H14ClN3O.C6H5Cl2N.C6H6ClN.C6H8N2O2/c1-12-10-16(20-14-6-4-13(19)5-7-14)21-17(11-12)23-9-8-15(22-23)18(2,3)24;1-3-18-12(17)9-4-5-16(15-9)11-7-8(2)6-10(13)14-11;1-8-6-10(13)14-11(7-8)16-5-4-9(15-16)12(2,3)17;1-4-2-5(7)9-6(8)3-4;7-5-1-3-6(8)4-2-5;1-2-10-6(9)5-3-4-7-8-5/h4-11,24H,1-3H3,(H,20,21);4-7H,3H2,1-2H3;4-7,17H,1-3H3;2-3H,1H3;1-4H,8H2;3-4H,2H2,1H3,(H,7,8).

What are the key properties of 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate?

4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate has a molecular weight of 1289.98 g/mol, XLogP of 14.27, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 159716986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).