1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol

C11H14N4O3S — CID 63248025

IUPAC1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESO=[N+]([O-])c1cnn(CC(O)CNCc2ccsc2)c1
InChIInChI=1S/C11H14N4O3S/c16-11(5-12-3-9-1-2-19-8-9)7-14-6-10(4-13-14)15(17)18/h1-2,4,6,8,11-12,16H,3,5,7H2
InChIKeyZGJYFTQZGXTPLX-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.00
Rot. Bonds7

About 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol

1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 63248025) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID63248025
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESO=[N+]([O-])c1cnn(CC(O)CNCc2ccsc2)c1
InChIInChI=1S/C11H14N4O3S/c16-11(5-12-3-9-1-2-19-8-9)7-14-6-10(4-13-14)15(17)18/h1-2,4,6,8,11-12,16H,3,5,7H2
InChIKeyZGJYFTQZGXTPLX-UHFFFAOYSA-N
XLogP1.00
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)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 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol (CID 63248025) is 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol is O=[N+]([O-])c1cnn(CC(O)CNCc2ccsc2)c1.
What is the InChIKey of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is ZGJYFTQZGXTPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-11(5-12-3-9-1-2-19-8-9)7-14-6-10(4-13-14)15(17)18/h1-2,4,6,8,11-12,16H,3,5,7H2.
What are the key properties of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol?
1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 282.32 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63248025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).