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

C18H15N5O4 — CID 135955427

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

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide (PubChem CID 135955427) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide
• PubChem CID: 135955427
• Molecular Formula: C18H15N5O4
• Molecular Weight: 365.35 g/mol
• Exact Mass: 365.11
• IUPAC Name: N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide
• SMILES: Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccco2)[nH]c(=O)c1C
• InChI: InChI=1S/C18H15N5O4/c1-10-11(2)19-18(21-16(10)24)23-15(20-17(25)14-6-4-8-27-14)9-12(22-23)13-5-3-7-26-13/h3-9H,1-2H3,(H,20,25)(H,19,21,24)
• InChIKey: IRLDBQRJBDJMNO-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 118.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.35
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide (CID 135955427) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide is Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccco2)[nH]c(=O)c1C.

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

The InChIKey is IRLDBQRJBDJMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-10-11(2)19-18(21-16(10)24)23-15(20-17(25)14-6-4-8-27-14)9-12(22-23)13-5-3-7-26-13/h3-9H,1-2H3,(H,20,25)(H,19,21,24).

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

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135955427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).