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

C82H66ClFN16O5S4 — CID 158218653

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 158218653) has the molecular formula C82H66ClFN16O5S4 and a molecular weight of 1538.26 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide
• PubChem CID: 158218653
• Molecular Formula: C82H66ClFN16O5S4
• Molecular Weight: 1538.26 g/mol
• Exact Mass: 1536.40
• IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide
• SMILES: COc1cccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)c1.Cc1cccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)c1.O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccn(-c2ccccc2)n1.O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccn(-c2ccccc2)n1
• InChI: InChI=1S/C21H18N4O2S.C21H18N4OS.C20H15ClN4OS.C20H15FN4OS/c1-27-17-9-5-6-15(12-17)13-18-14-22-21(28-18)23-20(26)19-10-11-25(24-19)16-7-3-2-4-8-16;1-15-6-5-7-16(12-15)13-18-14-22-21(27-18)23-20(26)19-10-11-25(24-19)17-8-3-2-4-9-17;21-17-9-5-4-6-14(17)12-16-13-22-20(27-16)23-19(26)18-10-11-25(24-18)15-7-2-1-3-8-15;21-15-6-4-5-14(11-15)12-17-13-22-20(27-17)23-19(26)18-9-10-25(24-18)16-7-2-1-3-8-16/h2-12,14H,13H2,1H3,(H,22,23,26);2-12,14H,13H2,1H3,(H,22,23,26);2*1-11,13H,12H2,(H,22,23,26)
• InChIKey: GCYYQNAOJFSNBP-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 248.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.26
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide (CID 158218653) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide is COc1cccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)c1.Cc1cccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)c1.O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccn(-c2ccccc2)n1.O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccn(-c2ccccc2)n1.

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

The InChIKey is GCYYQNAOJFSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S.C21H18N4OS.C20H15ClN4OS.C20H15FN4OS/c1-27-17-9-5-6-15(12-17)13-18-14-22-21(28-18)23-20(26)19-10-11-25(24-19)16-7-3-2-4-8-16;1-15-6-5-7-16(12-15)13-18-14-22-21(27-18)23-20(26)19-10-11-25(24-19)17-8-3-2-4-9-17;21-17-9-5-4-6-14(17)12-16-13-22-20(27-16)23-19(26)18-10-11-25(24-18)15-7-2-1-3-8-15;21-15-6-4-5-14(11-15)12-17-13-22-20(27-17)23-19(26)18-9-10-25(24-18)16-7-2-1-3-8-16/h2-12,14H,13H2,1H3,(H,22,23,26);2-12,14H,13H2,1H3,(H,22,23,26);2*1-11,13H,12H2,(H,22,23,26).

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 1538.26 g/mol, XLogP of 17.80, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide;N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 158218653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).