2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol

C5H5Br2N3O3 — CID 13007236

IUPAC2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol
SMILESO=[N+]([O-])c1c(Br)nn(CCO)c1Br
InChIInChI=1S/C5H5Br2N3O3/c6-4-3(10(12)13)5(7)9(8-4)1-2-11/h11H,1-2H2
InChIKeyGMEXFFLDFCILMY-UHFFFAOYSA-N
MW314.92 g/mol
LogP1.31
Rot. Bonds3

About 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol

2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol (PubChem CID 13007236) has the molecular formula C5H5Br2N3O3 and a molecular weight of 314.92 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol
PubChem CID13007236
Molecular FormulaC5H5Br2N3O3
Molecular Weight314.92 g/mol
Exact Mass312.87
IUPAC Name2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol
SMILESO=[N+]([O-])c1c(Br)nn(CCO)c1Br
InChIInChI=1S/C5H5Br2N3O3/c6-4-3(10(12)13)5(7)9(8-4)1-2-11/h11H,1-2H2
InChIKeyGMEXFFLDFCILMY-UHFFFAOYSA-N
XLogP1.31
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.92
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-bromo-4-nitro-5-(propan-2-ylamino)pyrazol-1-yl]propan-1-ol
CID 23158443
2-[5-(bromomethyl)-3-nitropyrazol-1-yl]ethanol
CID 135241157
(2-bromo-3-nitro-4-pyridinyl)methanol
CID 119016998
2-bromo-1-(1,3-dimethyl-4-nitropyrazol-5-yl)ethanone
CID 45156993
1-(2-hydroxyethyl)-3-nitro-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135523803
4-[3-bromo-5-(ethylamino)-4-nitropyrazol-1-yl]butane-1-sulfonate
CID 23158420
1-(2-hydroxyethyl)-4-nitropyrazole-3-carboxylic acid
CID 107345471
2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol
CID 3591302
3-bromo-1-(2-methoxyethyl)-4-nitro-N-(2-phenylethyl)pyrazol-5-amine
CID 174464507
2-(hydroxymethyl)-5-nitro-4H-1,2,4-triazol-3-one
CID 135778871
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 173359449
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 87813191

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol?
The IUPAC name of 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol (CID 13007236) is 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol is O=[N+]([O-])c1c(Br)nn(CCO)c1Br.
What is the InChIKey of 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol?
The InChIKey is GMEXFFLDFCILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N3O3/c6-4-3(10(12)13)5(7)9(8-4)1-2-11/h11H,1-2H2.
What are the key properties of 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol?
2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol has a molecular weight of 314.92 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-nitropyrazol-1-yl)ethanol is sourced from PubChem (CID 13007236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).