5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide

C19H14Cl2N4O2S — CID 55725553

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide (PubChem CID 55725553) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
• PubChem CID: 55725553
• Molecular Formula: C19H14Cl2N4O2S
• Molecular Weight: 433.32 g/mol
• Exact Mass: 432.02
• IUPAC Name: 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
• SMILES: Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(-c2ccco2)cs1
• InChI: InChI=1S/C19H14Cl2N4O2S/c1-11-16(17(21)25(24-11)9-12-5-2-3-6-13(12)20)18(26)23-19-22-14(10-28-19)15-7-4-8-27-15/h2-8,10H,9H2,1H3,(H,22,23,26)
• InChIKey: VJWXXQIGBMDPMS-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.32
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?

The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide (CID 55725553) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(-c2ccco2)cs1.

What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?

The InChIKey is VJWXXQIGBMDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c1-11-16(17(21)25(24-11)9-12-5-2-3-6-13(12)20)18(26)23-19-22-14(10-28-19)15-7-4-8-27-15/h2-8,10H,9H2,1H3,(H,22,23,26).

What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?

5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55725553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).