5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one

C92H104N22O15S5 — CID 157497952

About 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one

5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one (PubChem CID 157497952) has the molecular formula C92H104N22O15S5 and a molecular weight of 1918.32 g/mol. Its IUPAC name is 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one
• PubChem CID: 157497952
• Molecular Formula: C92H104N22O15S5
• Molecular Weight: 1918.32 g/mol
• Exact Mass: 1916.67
• IUPAC Name: 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one
• SMILES: CCCC(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1.COc1nc(-c2ccnc(N3CCCC3)c2)ccc1-c1cnn(C2=CC(=O)NS2=O)c1.O=C1C=C(n2cc(C3CCN(C(=O)CC4CCCCC4)CC3)cn2)S(=O)N1.O=C1C=C(n2cc(C3CCN(C(=O)Cc4ccccc4)CC3)cn2)S(=O)N1.O=C1C=C(n2cc(C3CCN(C(=O)c4ccccc4)CC3)cn2)S(=O)N1
• InChI: InChI=1S/C21H20N6O3S.C19H26N4O3S.C19H20N4O3S.C18H18N4O3S.C15H20N4O3S/c1-30-21-16(15-12-23-27(13-15)20-11-19(28)25-31(20)29)4-5-17(24-21)14-6-7-22-18(10-14)26-8-2-3-9-26;2*24-17-11-19(27(26)21-17)23-13-16(12-20-23)15-6-8-22(9-7-15)18(25)10-14-4-2-1-3-5-14;23-16-10-17(26(25)20-16)22-12-15(11-19-22)13-6-8-21(9-7-13)18(24)14-4-2-1-3-5-14;1-2-3-14(21)18-6-4-11(5-7-18)12-9-16-19(10-12)15-8-13(20)17-23(15)22/h4-7,10-13H,2-3,8-9H2,1H3,(H,25,28);11-15H,1-10H2,(H,21,24);1-5,11-13,15H,6-10H2,(H,21,24);1-5,10-13H,6-9H2,(H,20,23);8-11H,2-7H2,1H3,(H,17,20)
• InChIKey: BYBARORSMPFVDM-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 439.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.32
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one?

The IUPAC name of 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one (CID 157497952) is 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one is CCCC(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1.COc1nc(-c2ccnc(N3CCCC3)c2)ccc1-c1cnn(C2=CC(=O)NS2=O)c1.O=C1C=C(n2cc(C3CCN(C(=O)CC4CCCCC4)CC3)cn2)S(=O)N1.O=C1C=C(n2cc(C3CCN(C(=O)Cc4ccccc4)CC3)cn2)S(=O)N1.O=C1C=C(n2cc(C3CCN(C(=O)c4ccccc4)CC3)cn2)S(=O)N1.

What is the InChIKey of 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one?

The InChIKey is BYBARORSMPFVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S.C19H26N4O3S.C19H20N4O3S.C18H18N4O3S.C15H20N4O3S/c1-30-21-16(15-12-23-27(13-15)20-11-19(28)25-31(20)29)4-5-17(24-21)14-6-7-22-18(10-14)26-8-2-3-9-26;2*24-17-11-19(27(26)21-17)23-13-16(12-20-23)15-6-8-22(9-7-15)18(25)10-14-4-2-1-3-5-14;23-16-10-17(26(25)20-16)22-12-15(11-19-22)13-6-8-21(9-7-13)18(24)14-4-2-1-3-5-14;1-2-3-14(21)18-6-4-11(5-7-18)12-9-16-19(10-12)15-8-13(20)17-23(15)22/h4-7,10-13H,2-3,8-9H2,1H3,(H,25,28);11-15H,1-10H2,(H,21,24);1-5,11-13,15H,6-10H2,(H,21,24);1-5,10-13H,6-9H2,(H,20,23);8-11H,2-7H2,1H3,(H,17,20).

What are the key properties of 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one?

5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 1918.32 g/mol, XLogP of 8.26, 20 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1-benzoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(1-butanoylpiperidin-4-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[2-methoxy-6-(2-pyrrolidin-1-yl-4-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 157497952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).