2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol

C17H21N3O2S — CID 111467727

IUPAC2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1cc(C(C)(O)CNCc2cn[nH]c2-c2cccs2)c(C)o1
InChIInChI=1S/C17H21N3O2S/c1-11-7-14(12(2)22-11)17(3,21)10-18-8-13-9-19-20-16(13)15-5-4-6-23-15/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,20)
InChIKeyAEMBDIOUQQNXKC-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.35
Rot. Bonds6

About 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol

2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 111467727) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
PubChem CID111467727
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1cc(C(C)(O)CNCc2cn[nH]c2-c2cccs2)c(C)o1
InChIInChI=1S/C17H21N3O2S/c1-11-7-14(12(2)22-11)17(3,21)10-18-8-13-9-19-20-16(13)15-5-4-6-23-15/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,20)
InChIKeyAEMBDIOUQQNXKC-UHFFFAOYSA-N
XLogP3.35
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol (CID 111467727) is 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol is Cc1cc(C(C)(O)CNCc2cn[nH]c2-c2cccs2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is AEMBDIOUQQNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-7-14(12(2)22-11)17(3,21)10-18-8-13-9-19-20-16(13)15-5-4-6-23-15/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 331.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111467727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).