N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C22H27N5O4S — CID 136636872

About N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 136636872) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
• PubChem CID: 136636872
• Molecular Formula: C22H27N5O4S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.18
• IUPAC Name: N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
• SMILES: CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1
• InChI: InChI=1S/C22H27N5O4S/c1-5-6-17-13-21(29)25-22(23-17)27-19(11-15(4)26-27)24-20(28)12-16-7-9-18(10-8-16)32(30,31)14(2)3/h7-11,13-14H,5-6,12H2,1-4H3,(H,24,28)(H,23,25,29)
• InChIKey: RABWOKUGQQLBOT-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 126.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?

The IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 136636872) is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

What is the SMILES notation for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?

The canonical SMILES for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1.

What is the InChIKey of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?

The InChIKey is RABWOKUGQQLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-5-6-17-13-21(29)25-22(23-17)27-19(11-15(4)26-27)24-20(28)12-16-7-9-18(10-8-16)32(30,31)14(2)3/h7-11,13-14H,5-6,12H2,1-4H3,(H,24,28)(H,23,25,29).

What are the key properties of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?

N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 457.56 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 136636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).