5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide

C20H18N6O3S — CID 136605241

About 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 136605241) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 136605241
• Molecular Formula: C20H18N6O3S
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.12
• IUPAC Name: 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c(=O)c1C
• InChI: InChI=1S/C20H18N6O3S/c1-10-11(2)21-20(23-18(10)27)26-17(9-13(24-26)16-4-3-7-30-16)22-19(28)14-8-15(29-25-14)12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,28)(H,21,23,27)
• InChIKey: SGAABCKANDWCMN-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 118.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide (CID 136605241) is 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide is Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c(=O)c1C.

What is the InChIKey of 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is SGAABCKANDWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-10-11(2)21-20(23-18(10)27)26-17(9-13(24-26)16-4-3-7-30-16)22-19(28)14-8-15(29-25-14)12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,28)(H,21,23,27).

What are the key properties of 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 136605241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).