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

C19H17N5O3S — CID 136636634

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

2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide (PubChem CID 136636634) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide
• PubChem CID: 136636634
• Molecular Formula: C19H17N5O3S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.11
• IUPAC Name: 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cc(C)oc2C)n1
• InChI: InChI=1S/C19H17N5O3S/c1-10-7-17(25)22-19(20-10)24-16(9-14(23-24)15-5-4-6-28-15)21-18(26)13-8-11(2)27-12(13)3/h4-9H,1-3H3,(H,21,26)(H,20,22,25)
• InChIKey: FDFGMYDPIAGAKR-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide (CID 136636634) is 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide.

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

The canonical SMILES for 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cc(C)oc2C)n1.

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

The InChIKey is FDFGMYDPIAGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-10-7-17(25)22-19(20-10)24-16(9-14(23-24)15-5-4-6-28-15)21-18(26)13-8-11(2)27-12(13)3/h4-9H,1-3H3,(H,21,26)(H,20,22,25).

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

2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 136636634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).