N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C106H99F6N37O12S5 — CID 158861306

About N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 158861306) has the molecular formula C106H99F6N37O12S5 and a molecular weight of 2357.53 g/mol. Its IUPAC name is N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 158861306
• Molecular Formula: C106H99F6N37O12S5
• Molecular Weight: 2357.53 g/mol
• Exact Mass: 2355.68
• IUPAC Name: N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ncccn3)n2)C1.CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4C)n3)c(-c3cccc(C(F)(F)F)n3)n2)C1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(C)O)nc4-c4ccccn4)cs3)cn2)cc1.Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(CC(F)(F)F)nc2-c2ccccn2)cs1.O=C(Nc1cn(C2CC(O)C2)nc1-c1cnccn1)c1csc(-c2cn[nH]c2)n1.O=CO
• InChI: InChI=1S/C26H25N7O3S.C23H22F3N7O2S.C20H20N8O2S.C18H14F3N7OS.C18H16N8O2S.CH2O2/c1-17(34)12-33-15-22(24(31-33)21-5-3-4-10-27-21)29-25(35)23-16-37-26(30-23)19-11-28-32(14-19)13-18-6-8-20(36-2)9-7-18;1-3-35-14-7-13(8-14)33-10-17(20(32-33)16-5-4-6-19(28-16)23(24,25)26)29-21(34)18-11-36-22(30-18)15-9-27-31-12(15)2;1-2-30-14-6-13(7-14)28-10-15(17(27-28)18-21-4-3-5-22-18)25-19(29)16-11-31-20(26-16)12-8-23-24-9-12;1-10-11(6-23-26-10)17-25-14(8-30-17)16(29)24-13-7-28(9-18(19,20)21)27-15(13)12-4-2-3-5-22-12;27-12-3-11(4-12)26-8-14(16(25-26)13-7-19-1-2-20-13)23-17(28)15-9-29-18(24-15)10-5-21-22-6-10;2-1-3/h3-11,14-17,34H,12-13H2,1-2H3,(H,29,35);4-6,9-11,13-14H,3,7-8H2,1-2H3,(H,27,31)(H,29,34);3-5,8-11,13-14H,2,6-7H2,1H3,(H,23,24)(H,25,29);2-8H,9H2,1H3,(H,23,26)(H,24,29);1-2,5-9,11-12,27H,3-4H2,(H,21,22)(H,23,28);1H,(H,2,3)
• InChIKey: JARQAOBWLZCVFM-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 627.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 33
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2357.53
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 158861306) is N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ncccn3)n2)C1.CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4C)n3)c(-c3cccc(C(F)(F)F)n3)n2)C1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(C)O)nc4-c4ccccn4)cs3)cn2)cc1.Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(CC(F)(F)F)nc2-c2ccccn2)cs1.O=C(Nc1cn(C2CC(O)C2)nc1-c1cnccn1)c1csc(-c2cn[nH]c2)n1.O=CO.

What is the InChIKey of N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is JARQAOBWLZCVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3S.C23H22F3N7O2S.C20H20N8O2S.C18H14F3N7OS.C18H16N8O2S.CH2O2/c1-17(34)12-33-15-22(24(31-33)21-5-3-4-10-27-21)29-25(35)23-16-37-26(30-23)19-11-28-32(14-19)13-18-6-8-20(36-2)9-7-18;1-3-35-14-7-13(8-14)33-10-17(20(32-33)16-5-4-6-19(28-16)23(24,25)26)29-21(34)18-11-36-22(30-18)15-9-27-31-12(15)2;1-2-30-14-6-13(7-14)28-10-15(17(27-28)18-21-4-3-5-22-18)25-19(29)16-11-31-20(26-16)12-8-23-24-9-12;1-10-11(6-23-26-10)17-25-14(8-30-17)16(29)24-13-7-28(9-18(19,20)21)27-15(13)12-4-2-3-5-22-12;27-12-3-11(4-12)26-8-14(16(25-26)13-7-19-1-2-20-13)23-17(28)15-9-29-18(24-15)10-5-21-22-6-10;2-1-3/h3-11,14-17,34H,12-13H2,1-2H3,(H,29,35);4-6,9-11,13-14H,3,7-8H2,1-2H3,(H,27,31)(H,29,34);3-5,8-11,13-14H,2,6-7H2,1H3,(H,23,24)(H,25,29);2-8H,9H2,1H3,(H,23,26)(H,24,29);1-2,5-9,11-12,27H,3-4H2,(H,21,22)(H,23,28);1H,(H,2,3).

What are the key properties of N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2357.53 g/mol, XLogP of 18.00, 33 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-ethoxycyclobutyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-(3-hydroxycyclobutyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158861306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).