N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide

C143H170F3N35O4S2 — CID 159973917

About N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide

N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide (PubChem CID 159973917) has the molecular formula C143H170F3N35O4S2 and a molecular weight of 2564.30 g/mol. Its IUPAC name is N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide
• PubChem CID: 159973917
• Molecular Formula: C143H170F3N35O4S2
• Molecular Weight: 2564.30 g/mol
• Exact Mass: 2562.36
• IUPAC Name: N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide
• SMILES: CCCc1cc(-n2cc(-c3cnc(NC(C)(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3cnc(NC(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3cnc(NC4CCCC4)nc3)cn2)ccn1.CCCc1cc(-n2nc(C)c(-c3ccc(CC4CCC4)nc3)c2C)ccn1.CCCc1cc(-n2nc(C)c(-c3ccc(CC4CCCC4)nc3)c2C)ccn1.CCCc1cc(-n2nc(C)c(-c3ccc(NS(=O)(=O)C(F)(F)F)nc3)c2C)ccn1.CS(=O)(=O)Nc1ccc(-c2cnn(-c3cccc(N4CCCC4)c3)c2)cc1
• InChI: InChI=1S/C24H30N4.C23H28N4.C20H24N6.C20H22N4O2S.C19H20F3N5O2S.C19H24N6.C18H22N6/c1-4-7-21-15-23(12-13-25-21)28-18(3)24(17(2)27-28)20-10-11-22(26-16-20)14-19-8-5-6-9-19;1-4-6-20-14-22(11-12-24-20)27-17(3)23(16(2)26-27)19-9-10-21(25-15-19)13-18-7-5-8-18;1-2-5-18-10-19(8-9-21-18)26-14-16(13-24-26)15-11-22-20(23-12-15)25-17-6-3-4-7-17;1-27(25,26)22-18-9-7-16(8-10-18)17-14-21-24(15-17)20-6-4-5-19(13-20)23-11-2-3-12-23;1-4-5-15-10-16(8-9-23-15)27-13(3)18(12(2)25-27)14-6-7-17(24-11-14)26-30(28,29)19(20,21)22;1-5-6-16-9-17(7-8-20-16)25-13-15(12-23-25)14-10-21-18(22-11-14)24-19(2,3)4;1-4-5-16-8-17(6-7-19-16)24-12-15(11-22-24)14-9-20-18(21-10-14)23-13(2)3/h10-13,15-16,19H,4-9,14H2,1-3H3;9-12,14-15,18H,4-8,13H2,1-3H3;8-14,17H,2-7H2,1H3,(H,22,23,25);4-10,13-15,22H,2-3,11-12H2,1H3;6-11H,4-5H2,1-3H3,(H,24,26);7-13H,5-6H2,1-4H3,(H,21,22,24);6-13H,4-5H2,1-3H3,(H,20,21,23)
• InChIKey: OEXGWHHDYMEMRK-UHFFFAOYSA-N
• XLogP: 29.96
• TPSA: 449.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2564.30
LogP ≤ 5	29.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide?

The IUPAC name of N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide (CID 159973917) is N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide is CCCc1cc(-n2cc(-c3cnc(NC(C)(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3cnc(NC(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3cnc(NC4CCCC4)nc3)cn2)ccn1.CCCc1cc(-n2nc(C)c(-c3ccc(CC4CCC4)nc3)c2C)ccn1.CCCc1cc(-n2nc(C)c(-c3ccc(CC4CCCC4)nc3)c2C)ccn1.CCCc1cc(-n2nc(C)c(-c3ccc(NS(=O)(=O)C(F)(F)F)nc3)c2C)ccn1.CS(=O)(=O)Nc1ccc(-c2cnn(-c3cccc(N4CCCC4)c3)c2)cc1.

What is the InChIKey of N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide?

The InChIKey is OEXGWHHDYMEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4.C23H28N4.C20H24N6.C20H22N4O2S.C19H20F3N5O2S.C19H24N6.C18H22N6/c1-4-7-21-15-23(12-13-25-21)28-18(3)24(17(2)27-28)20-10-11-22(26-16-20)14-19-8-5-6-9-19;1-4-6-20-14-22(11-12-24-20)27-17(3)23(16(2)26-27)19-9-10-21(25-15-19)13-18-7-5-8-18;1-2-5-18-10-19(8-9-21-18)26-14-16(13-24-26)15-11-22-20(23-12-15)25-17-6-3-4-7-17;1-27(25,26)22-18-9-7-16(8-10-18)17-14-21-24(15-17)20-6-4-5-19(13-20)23-11-2-3-12-23;1-4-5-15-10-16(8-9-23-15)27-13(3)18(12(2)25-27)14-6-7-17(24-11-14)26-30(28,29)19(20,21)22;1-5-6-16-9-17(7-8-20-16)25-13-15(12-23-25)14-10-21-18(22-11-14)24-19(2,3)4;1-4-5-16-8-17(6-7-19-16)24-12-15(11-22-24)14-9-20-18(21-10-14)23-13(2)3/h10-13,15-16,19H,4-9,14H2,1-3H3;9-12,14-15,18H,4-8,13H2,1-3H3;8-14,17H,2-7H2,1H3,(H,22,23,25);4-10,13-15,22H,2-3,11-12H2,1H3;6-11H,4-5H2,1-3H3,(H,24,26);7-13H,5-6H2,1-4H3,(H,21,22,24);6-13H,4-5H2,1-3H3,(H,20,21,23).

What are the key properties of N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide?

N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 2564.30 g/mol, XLogP of 29.96, 40 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 159973917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).