N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C19H20FN5O3 — CID 97156505

About N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 97156505) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
• PubChem CID: 97156505
• Molecular Formula: C19H20FN5O3
• Molecular Weight: 385.40 g/mol
• Exact Mass: 385.16
• IUPAC Name: N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](C)c1cnn(-c2cccc(F)c2)c1C
• InChI: InChI=1S/C19H20FN5O3/c1-10-15(18(27)24-19(28)23-10)8-17(26)22-11(2)16-9-21-25(12(16)3)14-6-4-5-13(20)7-14/h4-7,9,11H,8H2,1-3H3,(H,22,26)(H2,23,24,27,28)/t11-/m1/s1
• InChIKey: KEJWBCFYIUNSLZ-LLVKDONJSA-N
• XLogP: 1.42
• TPSA: 112.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.40
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?

The IUPAC name of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 97156505) is N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

What is the SMILES notation for N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?

The canonical SMILES for N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](C)c1cnn(-c2cccc(F)c2)c1C.

What is the InChIKey of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?

The InChIKey is KEJWBCFYIUNSLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-10-15(18(27)24-19(28)23-10)8-17(26)22-11(2)16-9-21-25(12(16)3)14-6-4-5-13(20)7-14/h4-7,9,11H,8H2,1-3H3,(H,22,26)(H2,23,24,27,28)/t11-/m1/s1.

What are the key properties of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?

N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 97156505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).