4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole

C42H52Cl4N12O3 — CID 158381635

About 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole

4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole (PubChem CID 158381635) has the molecular formula C42H52Cl4N12O3 and a molecular weight of 914.77 g/mol. Its IUPAC name is 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole
• PubChem CID: 158381635
• Molecular Formula: C42H52Cl4N12O3
• Molecular Weight: 914.77 g/mol
• Exact Mass: 912.30
• IUPAC Name: 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole
• SMILES: Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2cc(Cl)cc(N3CCOCC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(N3CCOCC3)c2)n1.Clc1cc(Cl)nc(N2CCOCC2)c1
• InChI: InChI=1S/2C14H17ClN4O.C9H10Cl2N2O.C5H8N2/c1-10-7-11(2)19(17-10)12-8-13(15)16-14(9-12)18-3-5-20-6-4-18;1-10-7-11(2)19(17-10)14-9-12(15)8-13(16-14)18-3-5-20-6-4-18;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-4-3-5(2)7-6-4/h2*7-9H,3-6H2,1-2H3;5-6H,1-4H2;3H,1-2H3,(H,6,7)
• InChIKey: GVWAHWDFKRXPSX-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 140.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.77
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole?

The IUPAC name of 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole (CID 158381635) is 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole.

What is the SMILES notation for 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole?

The canonical SMILES for 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole is Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2cc(Cl)cc(N3CCOCC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(N3CCOCC3)c2)n1.Clc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole?

The InChIKey is GVWAHWDFKRXPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17ClN4O.C9H10Cl2N2O.C5H8N2/c1-10-7-11(2)19(17-10)12-8-13(15)16-14(9-12)18-3-5-20-6-4-18;1-10-7-11(2)19(17-10)14-9-12(15)8-13(16-14)18-3-5-20-6-4-18;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-4-3-5(2)7-6-4/h2*7-9H,3-6H2,1-2H3;5-6H,1-4H2;3H,1-2H3,(H,6,7).

What are the key properties of 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole?

4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole has a molecular weight of 914.77 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 158381635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).