N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide

C18H18ClN5O2S — CID 67261117

About N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide

N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide (PubChem CID 67261117) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide
• PubChem CID: 67261117
• Molecular Formula: C18H18ClN5O2S
• Molecular Weight: 403.90 g/mol
• Exact Mass: 403.09
• IUPAC Name: N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide
• SMILES: CC(=O)N(C(C)=O)c1nccc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)n1
• InChI: InChI=1S/C18H18ClN5O2S/c1-10(2)23-9-13(17(22-23)15-5-6-16(19)27-15)14-7-8-20-18(21-14)24(11(3)25)12(4)26/h5-10H,1-4H3
• InChIKey: IPEVPHXAMVTWPB-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 80.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.90
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide?

The IUPAC name of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide (CID 67261117) is N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide.

What is the SMILES notation for N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide?

The canonical SMILES for N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide is CC(=O)N(C(C)=O)c1nccc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)n1.

What is the InChIKey of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide?

The InChIKey is IPEVPHXAMVTWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-10(2)23-9-13(17(22-23)15-5-6-16(19)27-15)14-7-8-20-18(21-14)24(11(3)25)12(4)26/h5-10H,1-4H3.

What are the key properties of N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide?

N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide has a molecular weight of 403.90 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 67261117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).