2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol

C13H19N3O4 — CID 107850384

About 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol

2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol (PubChem CID 107850384) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
• PubChem CID: 107850384
• Molecular Formula: C13H19N3O4
• Molecular Weight: 281.31 g/mol
• Exact Mass: 281.14
• IUPAC Name: 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
• SMILES: Cc1ccc(-c2[nH]ncc2CNC(CO)(CO)CO)o1
• InChI: InChI=1S/C13H19N3O4/c1-9-2-3-11(20-9)12-10(5-15-16-12)4-14-13(6-17,7-18)8-19/h2-3,5,14,17-19H,4,6-8H2,1H3,(H,15,16)
• InChIKey: PWPXVJTVWMDBCX-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 114.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.31
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol?

The IUPAC name of 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol (CID 107850384) is 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol.

What is the SMILES notation for 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol?

The canonical SMILES for 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol is Cc1ccc(-c2[nH]ncc2CNC(CO)(CO)CO)o1.

What is the InChIKey of 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol?

The InChIKey is PWPXVJTVWMDBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-2-3-11(20-9)12-10(5-15-16-12)4-14-13(6-17,7-18)8-19/h2-3,5,14,17-19H,4,6-8H2,1H3,(H,15,16).

What are the key properties of 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol?

2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol has a molecular weight of 281.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol is sourced from PubChem (CID 107850384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).