N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide

C81H65ClFN17O5S4 — CID 161114666

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 161114666) has the molecular formula C81H65ClFN17O5S4 and a molecular weight of 1539.24 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide
• PubChem CID: 161114666
• Molecular Formula: C81H65ClFN17O5S4
• Molecular Weight: 1539.24 g/mol
• Exact Mass: 1537.39
• IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide
• SMILES: COc1ccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)cc1.Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4cccnc4)n3)s2)cc1.O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccn(-c2ccccc2)n1.O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccn(-c2ccccc2)n1
• InChI: InChI=1S/C21H18N4O2S.C20H15ClN4OS.C20H15FN4OS.C20H17N5OS/c1-27-17-9-7-15(8-10-17)13-18-14-22-21(28-18)23-20(26)19-11-12-25(24-19)16-5-3-2-4-6-16;2*21-15-8-6-14(7-9-15)12-17-13-22-20(27-17)23-19(26)18-10-11-25(24-18)16-4-2-1-3-5-16;1-14-4-6-15(7-5-14)11-17-13-22-20(27-17)23-19(26)18-8-10-25(24-18)16-3-2-9-21-12-16/h2-12,14H,13H2,1H3,(H,22,23,26);2*1-11,13H,12H2,(H,22,23,26);2-10,12-13H,11H2,1H3,(H,22,23,26)
• InChIKey: UKDQIQBGYRARNE-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 261.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.24
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide?

The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide (CID 161114666) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide is COc1ccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)cc1.Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4cccnc4)n3)s2)cc1.O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccn(-c2ccccc2)n1.O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccn(-c2ccccc2)n1.

What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide?

The InChIKey is UKDQIQBGYRARNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S.C20H15ClN4OS.C20H15FN4OS.C20H17N5OS/c1-27-17-9-7-15(8-10-17)13-18-14-22-21(28-18)23-20(26)19-11-12-25(24-19)16-5-3-2-4-6-16;2*21-15-8-6-14(7-9-15)12-17-13-22-20(27-17)23-19(26)18-10-11-25(24-18)16-4-2-1-3-5-16;1-14-4-6-15(7-5-14)11-17-13-22-20(27-17)23-19(26)18-8-10-25(24-18)16-3-2-9-21-12-16/h2-12,14H,13H2,1H3,(H,22,23,26);2*1-11,13H,12H2,(H,22,23,26);2-10,12-13H,11H2,1H3,(H,22,23,26).

What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide?

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 1539.24 g/mol, XLogP of 17.19, 21 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 161114666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).