2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole

C45H49Cl3F13N11 — CID 162115936

About 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole

2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole (PubChem CID 162115936) has the molecular formula C45H49Cl3F13N11 and a molecular weight of 1097.30 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole.

Molecular Properties

• Compound Name: 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole
• PubChem CID: 162115936
• Molecular Formula: C45H49Cl3F13N11
• Molecular Weight: 1097.30 g/mol
• Exact Mass: 1095.30
• IUPAC Name: 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole
• SMILES: Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2cc(C(F)(F)F)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(C(F)(F)F)cc(NC3CCC(F)(F)CC3)n2)n1.FC(F)(F)c1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C17H19F5N4.C11H9ClF3N3.C6H2Cl2F3N.C6H11F2N.C5H8N2/c1-10-7-11(2)26(25-10)15-9-12(17(20,21)22)8-14(24-15)23-13-3-5-16(18,19)6-4-13;1-6-3-7(2)18(17-6)10-5-8(11(13,14)15)4-9(12)16-10;7-4-1-3(6(9,10)11)2-5(8)12-4;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-9,13H,3-6H2,1-2H3,(H,23,24);3-5H,1-2H3;1-2H;5H,1-4,9H2;3H,1-2H3,(H,6,7)
• InChIKey: ZGTLCOOTJNUYFI-UHFFFAOYSA-N
• XLogP: 14.41
• TPSA: 141.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.30
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole?

The IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole (CID 162115936) is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole.

What is the SMILES notation for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole?

The canonical SMILES for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole is Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2cc(C(F)(F)F)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(C(F)(F)F)cc(NC3CCC(F)(F)CC3)n2)n1.FC(F)(F)c1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.

What is the InChIKey of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole?

The InChIKey is ZGTLCOOTJNUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5N4.C11H9ClF3N3.C6H2Cl2F3N.C6H11F2N.C5H8N2/c1-10-7-11(2)26(25-10)15-9-12(17(20,21)22)8-14(24-15)23-13-3-5-16(18,19)6-4-13;1-6-3-7(2)18(17-6)10-5-8(11(13,14)15)4-9(12)16-10;7-4-1-3(6(9,10)11)2-5(8)12-4;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-9,13H,3-6H2,1-2H3,(H,23,24);3-5H,1-2H3;1-2H;5H,1-4,9H2;3H,1-2H3,(H,6,7).

What are the key properties of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole?

2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole has a molecular weight of 1097.30 g/mol, XLogP of 14.41, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 162115936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).