4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole

C38H45ClF4N12 — CID 158759879

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole (PubChem CID 158759879) has the molecular formula C38H45ClF4N12 and a molecular weight of 781.31 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole
• PubChem CID: 158759879
• Molecular Formula: C38H45ClF4N12
• Molecular Weight: 781.31 g/mol
• Exact Mass: 780.35
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole
• SMILES: Cc1cc(C)n(-c2cc(-n3cccn3)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.c1cn[nH]c1
• InChI: InChI=1S/C19H22F2N6.C16H19ClF2N4.C3H4N2/c1-13-10-14(2)27(25-13)18-12-16(26-9-3-8-22-26)11-17(24-18)23-15-4-6-19(20,21)7-5-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-2-4-5-3-1/h3,8-12,15H,4-7H2,1-2H3,(H,23,24);7-9,13H,3-6H2,1-2H3,(H,20,21);1-3H,(H,4,5)
• InChIKey: IONKCJSOXMHCDY-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 131.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	781.31
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole?

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole (CID 158759879) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole.

What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole?

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole is Cc1cc(C)n(-c2cc(-n3cccn3)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.c1cn[nH]c1.

What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole?

The InChIKey is IONKCJSOXMHCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6.C16H19ClF2N4.C3H4N2/c1-13-10-14(2)27(25-13)18-12-16(26-9-3-8-22-26)11-17(24-18)23-15-4-6-19(20,21)7-5-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-2-4-5-3-1/h3,8-12,15H,4-7H2,1-2H3,(H,23,24);7-9,13H,3-6H2,1-2H3,(H,20,21);1-3H,(H,4,5).

What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole?

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole has a molecular weight of 781.31 g/mol, XLogP of 9.00, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole is sourced from PubChem (CID 158759879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).