(2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone

C17H24N4O3 — CID 47054186

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CC(O)Cn3cccn3)CC2)c(C)o1
InChIInChI=1S/C17H24N4O3/c1-13-10-16(14(2)24-13)17(23)20-8-6-19(7-9-20)11-15(22)12-21-5-3-4-18-21/h3-5,10,15,22H,6-9,11-12H2,1-2H3
InChIKeyFDVOPFKRGXKMGK-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.91
Rot. Bonds5

About (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone (PubChem CID 47054186) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone
PubChem CID47054186
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CC(O)Cn3cccn3)CC2)c(C)o1
InChIInChI=1S/C17H24N4O3/c1-13-10-16(14(2)24-13)17(23)20-8-6-19(7-9-20)11-15(22)12-21-5-3-4-18-21/h3-5,10,15,22H,6-9,11-12H2,1-2H3
InChIKeyFDVOPFKRGXKMGK-UHFFFAOYSA-N
XLogP0.91
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone (CID 47054186) is (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CC(O)Cn3cccn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone?
The InChIKey is FDVOPFKRGXKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-10-16(14(2)24-13)17(23)20-8-6-19(7-9-20)11-15(22)12-21-5-3-4-18-21/h3-5,10,15,22H,6-9,11-12H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47054186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).