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

C20H25N5O3 — CID 136614803

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide (PubChem CID 136614803) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide
• PubChem CID: 136614803
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CC(C)(C)C)n1
• InChI: InChI=1S/C20H25N5O3/c1-12(2)13-10-17(26)23-19(21-13)25-16(22-18(27)11-20(3,4)5)9-14(24-25)15-7-6-8-28-15/h6-10,12H,11H2,1-5H3,(H,22,27)(H,21,23,26)
• InChIKey: QBTBSMAGMPVIFS-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide (CID 136614803) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide.

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

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

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

The InChIKey is QBTBSMAGMPVIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)13-10-17(26)23-19(21-13)25-16(22-18(27)11-20(3,4)5)9-14(24-25)15-7-6-8-28-15/h6-10,12H,11H2,1-5H3,(H,22,27)(H,21,23,26).

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 383.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 136614803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).