N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

C19H21N5O2S — CID 135892119

About N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 135892119) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 135892119
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)Cc2cccs2)n1
• InChI: InChI=1S/C19H21N5O2S/c1-11(2)14-10-18(26)22-19(20-14)24-16(9-15(23-24)12-5-6-12)21-17(25)8-13-4-3-7-27-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,21,25)(H,20,22,26)
• InChIKey: LAXLMUCAVKZMJE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (CID 135892119) is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)Cc2cccs2)n1.

What is the InChIKey of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

The InChIKey is LAXLMUCAVKZMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11(2)14-10-18(26)22-19(20-14)24-16(9-15(23-24)12-5-6-12)21-17(25)8-13-4-3-7-27-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,21,25)(H,20,22,26).

What are the key properties of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 383.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 135892119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).