N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

C17H16Cl2N4OS — CID 86944220

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 86944220) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 86944220
• Molecular Formula: C17H16Cl2N4OS
• Molecular Weight: 395.32 g/mol
• Exact Mass: 394.04
• IUPAC Name: N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)n1
• InChI: InChI=1S/C17H16Cl2N4OS/c1-10(2)23-6-5-15(22-23)16(24)21-17-20-9-13(25-17)7-11-3-4-12(18)8-14(11)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,24)
• InChIKey: GUUDINKKIIWBAG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.32
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (CID 86944220) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)n1.

What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is GUUDINKKIIWBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c1-10(2)23-6-5-15(22-23)16(24)21-17-20-9-13(25-17)7-11-3-4-12(18)8-14(11)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,24).

What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 395.32 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86944220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).