N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C18H16ClN7O2 — CID 51288188

About N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 51288188) has the molecular formula C18H16ClN7O2 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
• PubChem CID: 51288188
• Molecular Formula: C18H16ClN7O2
• Molecular Weight: 397.83 g/mol
• Exact Mass: 397.11
• IUPAC Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
• SMILES: Cn1ncc2c(=O)n(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cnc21
• InChI: InChI=1S/C18H16ClN7O2/c1-24-17-14(8-22-24)18(28)25(11-20-17)10-16(27)23-15-6-7-21-26(15)9-12-2-4-13(19)5-3-12/h2-8,11H,9-10H2,1H3,(H,23,27)
• InChIKey: WVRJRHHEKNSLDU-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 99.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.83
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?

The IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 51288188) is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?

The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cn1ncc2c(=O)n(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cnc21.

What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?

The InChIKey is WVRJRHHEKNSLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O2/c1-24-17-14(8-22-24)18(28)25(11-20-17)10-16(27)23-15-6-7-21-26(15)9-12-2-4-13(19)5-3-12/h2-8,11H,9-10H2,1H3,(H,23,27).

What are the key properties of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 397.83 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 51288188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).