1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide

C24H22FN5O3S — CID 43009997

About 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 43009997) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 43009997
• Molecular Formula: C24H22FN5O3S
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.14
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
• SMILES: CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1
• InChI: InChI=1S/C24H22FN5O3S/c1-3-10-29(14-21-26-27-22(33-21)19-5-4-11-32-19)23(31)20-12-18-15(2)28-30(24(18)34-20)13-16-6-8-17(25)9-7-16/h4-9,11-12H,3,10,13-14H2,1-2H3
• InChIKey: OVIKAWUWWQMEHG-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 90.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide (CID 43009997) is 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide is CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is OVIKAWUWWQMEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-3-10-29(14-21-26-27-22(33-21)19-5-4-11-32-19)23(31)20-12-18-15(2)28-30(24(18)34-20)13-16-6-8-17(25)9-7-16/h4-9,11-12H,3,10,13-14H2,1-2H3.

What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide?

1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 43009997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).