2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C21H15ClF2N4O3S — CID 19507202

About 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide

2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 19507202) has the molecular formula C21H15ClF2N4O3S and a molecular weight of 476.89 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
• PubChem CID: 19507202
• Molecular Formula: C21H15ClF2N4O3S
• Molecular Weight: 476.89 g/mol
• Exact Mass: 476.05
• IUPAC Name: 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccnn1COc1ccccc1Cl
• InChI: InChI=1S/C21H15ClF2N4O3S/c22-15-3-1-2-4-18(15)30-12-28-17(9-10-25-28)19(29)27-21-26-16(11-32-21)13-5-7-14(8-6-13)31-20(23)24/h1-11,20H,12H2,(H,26,27,29)
• InChIKey: MKHJZCOTBDMIFH-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.89
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 19507202) is 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccnn1COc1ccccc1Cl.

What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The InChIKey is MKHJZCOTBDMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O3S/c22-15-3-1-2-4-18(15)30-12-28-17(9-10-25-28)19(29)27-21-26-16(11-32-21)13-5-7-14(8-6-13)31-20(23)24/h1-11,20H,12H2,(H,26,27,29).

What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 476.89 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).