3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide

C20H13ClF2N4O2S — CID 19509508

About 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19509508) has the molecular formula C20H13ClF2N4O2S and a molecular weight of 446.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 19509508
• Molecular Formula: C20H13ClF2N4O2S
• Molecular Weight: 446.87 g/mol
• Exact Mass: 446.04
• IUPAC Name: 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(-c2ccc(Cl)cc2)n[nH]1
• InChI: InChI=1S/C20H13ClF2N4O2S/c21-13-5-1-11(2-6-13)15-9-16(27-26-15)18(28)25-20-24-17(10-30-20)12-3-7-14(8-4-12)29-19(22)23/h1-10,19H,(H,26,27)(H,24,25,28)
• InChIKey: DVZBSWUWPXCDNZ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.87
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (CID 19509508) is 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(-c2ccc(Cl)cc2)n[nH]1.

What is the InChIKey of 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is DVZBSWUWPXCDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O2S/c21-13-5-1-11(2-6-13)15-9-16(27-26-15)18(28)25-20-24-17(10-30-20)12-3-7-14(8-4-12)29-19(22)23/h1-10,19H,(H,26,27)(H,24,25,28).

What are the key properties of 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 446.87 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).