N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H13F2N5O2S2 — CID 19416776

About N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416776) has the molecular formula C21H13F2N5O2S2 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19416776
• Molecular Formula: C21H13F2N5O2S2
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.05
• IUPAC Name: N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cnn2c(-c3cccs3)ccnc12
• InChI: InChI=1S/C21H13F2N5O2S2/c22-20(23)30-13-5-3-12(4-6-13)15-11-32-21(26-15)27-19(29)14-10-25-28-16(7-8-24-18(14)28)17-2-1-9-31-17/h1-11,20H,(H,26,27,29)
• InChIKey: HUSPCQPLGLQHSK-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416776) is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cnn2c(-c3cccs3)ccnc12.

What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HUSPCQPLGLQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O2S2/c22-20(23)30-13-5-3-12(4-6-13)15-11-32-21(26-15)27-19(29)14-10-25-28-16(7-8-24-18(14)28)17-2-1-9-31-17/h1-11,20H,(H,26,27,29).

What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).