1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide

C21H22FN5OS — CID 35324181

About 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 35324181) has the molecular formula C21H22FN5OS and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 35324181
• Molecular Formula: C21H22FN5OS
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.15
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide
• SMILES: Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3CC(C)C)cc12
• InChI: InChI=1S/C21H22FN5OS/c1-13(2)11-26-19(8-9-23-26)24-20(28)18-10-17-14(3)25-27(21(17)29-18)12-15-4-6-16(22)7-5-15/h4-10,13H,11-12H2,1-3H3,(H,24,28)
• InChIKey: SAEIXJRYWCGYGF-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 35324181) is 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide.

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

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3CC(C)C)cc12.

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

The InChIKey is SAEIXJRYWCGYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5OS/c1-13(2)11-26-19(8-9-23-26)24-20(28)18-10-17-14(3)25-27(21(17)29-18)12-15-4-6-16(22)7-5-15/h4-10,13H,11-12H2,1-3H3,(H,24,28).

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

1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 35324181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).