3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide

C23H29N5O3 — CID 136614810

About 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide

3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide (PubChem CID 136614810) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
• PubChem CID: 136614810
• Molecular Formula: C23H29N5O3
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.23
• IUPAC Name: 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
• SMILES: CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCC2CCCCC2)n1
• InChI: InChI=1S/C23H29N5O3/c1-15(2)17-14-22(30)26-23(24-17)28-20(13-18(27-28)19-9-6-12-31-19)25-21(29)11-10-16-7-4-3-5-8-16/h6,9,12-16H,3-5,7-8,10-11H2,1-2H3,(H,25,29)(H,24,26,30)
• InChIKey: MKWXWCMOZPHCSA-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide (CID 136614810) is 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide.

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

The canonical SMILES for 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide is CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCC2CCCCC2)n1.

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

The InChIKey is MKWXWCMOZPHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)17-14-22(30)26-23(24-17)28-20(13-18(27-28)19-9-6-12-31-19)25-21(29)11-10-16-7-4-3-5-8-16/h6,9,12-16H,3-5,7-8,10-11H2,1-2H3,(H,25,29)(H,24,26,30).

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

3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 423.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 136614810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).