N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide

C24H19N5O3 — CID 136606309

About N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide (PubChem CID 136606309) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide
• PubChem CID: 136606309
• Molecular Formula: C24H19N5O3
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.15
• IUPAC Name: N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide
• SMILES: CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc3ccccc23)n1
• InChI: InChI=1S/C24H19N5O3/c1-2-16-13-22(30)27-24(25-16)29-21(14-19(28-29)20-11-6-12-32-20)26-23(31)18-10-5-8-15-7-3-4-9-17(15)18/h3-14H,2H2,1H3,(H,26,31)(H,25,27,30)
• InChIKey: JAVLAYPPSSTTPC-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide?

The IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide (CID 136606309) is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide?

The canonical SMILES for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide is CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc3ccccc23)n1.

What is the InChIKey of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide?

The InChIKey is JAVLAYPPSSTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-2-16-13-22(30)27-24(25-16)29-21(14-19(28-29)20-11-6-12-32-20)26-23(31)18-10-5-8-15-7-3-4-9-17(15)18/h3-14H,2H2,1H3,(H,26,31)(H,25,27,30).

What are the key properties of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide?

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 136606309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).