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

C22H25N5O4 — CID 135892092

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

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide (PubChem CID 135892092) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide
• PubChem CID: 135892092
• Molecular Formula: C22H25N5O4
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.19
• IUPAC Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide
• SMILES: COc1cccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c1OC
• InChI: InChI=1S/C22H25N5O4/c1-12(2)15-11-19(28)25-22(23-15)27-18(10-16(26-27)13-8-9-13)24-21(29)14-6-5-7-17(30-3)20(14)31-4/h5-7,10-13H,8-9H2,1-4H3,(H,24,29)(H,23,25,28)
• InChIKey: MLGGGYHAQPJDCI-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide (CID 135892092) is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide.

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

The canonical SMILES for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c1OC.

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

The InChIKey is MLGGGYHAQPJDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-12(2)15-11-19(28)25-22(23-15)27-18(10-16(26-27)13-8-9-13)24-21(29)14-6-5-7-17(30-3)20(14)31-4/h5-7,10-13H,8-9H2,1-4H3,(H,24,29)(H,23,25,28).

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

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide has a molecular weight of 423.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 135892092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).