3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide

C22H20N4O2S — CID 11281152

About 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide

3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide (PubChem CID 11281152) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
• PubChem CID: 11281152
• Molecular Formula: C22H20N4O2S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.13
• IUPAC Name: 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
• InChI: InChI=1S/C22H20N4O2S/c1-14(2)11-20(27)25-16-6-3-5-15(12-16)18-8-9-23-22-17(13-24-26(18)22)21(28)19-7-4-10-29-19/h3-10,12-14H,11H2,1-2H3,(H,25,27)
• InChIKey: ORKKQJZKIDMWTI-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 76.36 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	404.50
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide?

The IUPAC name of 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide (CID 11281152) is 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide.

What is the SMILES notation for 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide?

The canonical SMILES for 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide is CC(C)CC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.

What is the InChIKey of 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide?

The InChIKey is ORKKQJZKIDMWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14(2)11-20(27)25-16-6-3-5-15(12-16)18-8-9-23-22-17(13-24-26(18)22)21(28)19-7-4-10-29-19/h3-10,12-14H,11H2,1-2H3,(H,25,27).

What are the key properties of 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide?

3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide has a molecular weight of 404.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide is sourced from PubChem (CID 11281152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).