N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C100H90F3N35O10S5 — CID 161331147

About N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 161331147) has the molecular formula C100H90F3N35O10S5 and a molecular weight of 2159.38 g/mol. Its IUPAC name is N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 161331147
• Molecular Formula: C100H90F3N35O10S5
• Molecular Weight: 2159.38 g/mol
• Exact Mass: 2157.62
• IUPAC Name: N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CC2CC(O)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCOCC(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCOCCF)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(Cc2ccccc2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=CO
• InChI: InChI=1S/C22H17N7OS.C20H19N7O2S.C19H17F2N7O2S.C19H18FN7O2S.C19H17N7OS.CH2O2/c30-21(19-14-31-22(27-19)16-10-24-25-11-16)26-18-13-29(12-15-6-2-1-3-7-15)28-20(18)17-8-4-5-9-23-17;28-14-5-12(6-14)9-27-10-16(18(26-27)15-3-1-2-4-21-15)24-19(29)17-11-30-20(25-17)13-7-22-23-8-13;20-16(21)10-30-6-5-28-9-14(17(27-28)13-3-1-2-4-22-13)25-18(29)15-11-31-19(26-15)12-7-23-24-8-12;20-4-7-29-8-6-27-11-15(17(26-27)14-3-1-2-5-21-14)24-18(28)16-12-30-19(25-16)13-9-22-23-10-13;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;2-1-3/h1-11,13-14H,12H2,(H,24,25)(H,26,30);1-4,7-8,10-12,14,28H,5-6,9H2,(H,22,23)(H,24,29);1-4,7-9,11,16H,5-6,10H2,(H,23,24)(H,25,29);1-3,5,9-12H,4,6-8H2,(H,22,23)(H,24,28);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);1H,(H,2,3)
• InChIKey: VLKXNAFCVVLKHR-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 582.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.38
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 161331147) is N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CC2CC(O)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCOCC(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCOCCF)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(Cc2ccccc2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=CO.

What is the InChIKey of N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is VLKXNAFCVVLKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7OS.C20H19N7O2S.C19H17F2N7O2S.C19H18FN7O2S.C19H17N7OS.CH2O2/c30-21(19-14-31-22(27-19)16-10-24-25-11-16)26-18-13-29(12-15-6-2-1-3-7-15)28-20(18)17-8-4-5-9-23-17;28-14-5-12(6-14)9-27-10-16(18(26-27)15-3-1-2-4-21-15)24-19(29)17-11-30-20(25-17)13-7-22-23-8-13;20-16(21)10-30-6-5-28-9-14(17(27-28)13-3-1-2-4-22-13)25-18(29)15-11-31-19(26-15)12-7-23-24-8-12;20-4-7-29-8-6-27-11-15(17(26-27)14-3-1-2-5-21-14)24-18(28)16-12-30-19(25-16)13-9-22-23-10-13;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;2-1-3/h1-11,13-14H,12H2,(H,24,25)(H,26,30);1-4,7-8,10-12,14,28H,5-6,9H2,(H,22,23)(H,24,29);1-4,7-9,11,16H,5-6,10H2,(H,23,24)(H,25,29);1-3,5,9-12H,4,6-8H2,(H,22,23)(H,24,28);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);1H,(H,2,3).

What are the key properties of N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2159.38 g/mol, XLogP of 16.73, 35 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2,2-difluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-[2-(2-fluoroethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid;N-[1-[(3-hydroxycyclobutyl)methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161331147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).