(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

C24H24N5O2+ — CID 135751465

About (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium (PubChem CID 135751465) has the molecular formula C24H24N5O2+ and a molecular weight of 414.49 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium
• PubChem CID: 135751465
• Molecular Formula: C24H24N5O2+
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.19
• IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium
• SMILES: Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1
• InChI: InChI=1S/C24H23N5O2/c1-15-19(16(2)29(27-15)17-9-5-4-6-10-17)13-28(3)14-21-25-22-18-11-7-8-12-20(18)31-23(22)24(30)26-21/h4-12H,13-14H2,1-3H3,(H,25,26,30)/p+1
• InChIKey: JGXHUZAWBQLAHS-UHFFFAOYSA-O
• XLogP: 2.69
• TPSA: 81.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium?

The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium (CID 135751465) is (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium.

What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium?

The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium is Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1.

What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium?

The InChIKey is JGXHUZAWBQLAHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N5O2/c1-15-19(16(2)29(27-15)17-9-5-4-6-10-17)13-28(3)14-21-25-22-18-11-7-8-12-20(18)31-23(22)24(30)26-21/h4-12H,13-14H2,1-3H3,(H,25,26,30)/p+1.

What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium?

(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium has a molecular weight of 414.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 135751465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).