1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea

C16H20N4O3 — CID 125161415

About 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea

1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea (PubChem CID 125161415) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea.

Molecular Properties

• Compound Name: 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
• PubChem CID: 125161415
• Molecular Formula: C16H20N4O3
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.15
• IUPAC Name: 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
• SMILES: COCc1cc(CNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)[nH]n1
• InChI: InChI=1S/C16H20N4O3/c1-10-5-11-6-12(3-4-15(11)23-10)18-16(21)17-8-13-7-14(9-22-2)20-19-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t10-/m1/s1
• InChIKey: GABUBBRYTRGKBE-SNVBAGLBSA-N
• XLogP: 2.20
• TPSA: 88.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?

The IUPAC name of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea (CID 125161415) is 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea.

What is the SMILES notation for 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?

The canonical SMILES for 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea is COCc1cc(CNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)[nH]n1.

What is the InChIKey of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?

The InChIKey is GABUBBRYTRGKBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-5-11-6-12(3-4-15(11)23-10)18-16(21)17-8-13-7-14(9-22-2)20-19-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t10-/m1/s1.

What are the key properties of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?

1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea has a molecular weight of 316.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea is sourced from PubChem (CID 125161415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).