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

C17H19N5O4 — CID 136615188

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

ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate (PubChem CID 136615188) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate
• PubChem CID: 136615188
• Molecular Formula: C17H19N5O4
• Molecular Weight: 357.37 g/mol
• Exact Mass: 357.14
• IUPAC Name: ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate
• SMILES: CCOC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(CC)c(=O)[nH]1
• InChI: InChI=1S/C17H19N5O4/c1-4-11-10(3)18-16(20-15(11)23)22-14(19-17(24)25-5-2)9-12(21-22)13-7-6-8-26-13/h6-9H,4-5H2,1-3H3,(H,19,24)(H,18,20,23)
• InChIKey: PCMSJSIAEHZBRR-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.37
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate (CID 136615188) is ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate.

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

The canonical SMILES for ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate is CCOC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(CC)c(=O)[nH]1.

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

The InChIKey is PCMSJSIAEHZBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-4-11-10(3)18-16(20-15(11)23)22-14(19-17(24)25-5-2)9-12(21-22)13-7-6-8-26-13/h6-9H,4-5H2,1-3H3,(H,19,24)(H,18,20,23).

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

ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate has a molecular weight of 357.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 136615188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).