2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol

C6H8BrIN2O — CID 167729933

IUPAC2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol
SMILESOCC(CI)n1cc(Br)cn1
InChIInChI=1S/C6H8BrIN2O/c7-5-2-9-10(3-5)6(1-8)4-11/h2-3,6,11H,1,4H2
InChIKeyZNMUWBNJWMDQET-UHFFFAOYSA-N
MW330.95 g/mol
LogP1.61
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol

2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol (PubChem CID 167729933) has the molecular formula C6H8BrIN2O and a molecular weight of 330.95 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol
PubChem CID167729933
Molecular FormulaC6H8BrIN2O
Molecular Weight330.95 g/mol
Exact Mass329.89
IUPAC Name2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol
SMILESOCC(CI)n1cc(Br)cn1
InChIInChI=1S/C6H8BrIN2O/c7-5-2-9-10(3-5)6(1-8)4-11/h2-3,6,11H,1,4H2
InChIKeyZNMUWBNJWMDQET-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.95
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol (CID 167729933) is 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol is OCC(CI)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol?
The InChIKey is ZNMUWBNJWMDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrIN2O/c7-5-2-9-10(3-5)6(1-8)4-11/h2-3,6,11H,1,4H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol?
2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol has a molecular weight of 330.95 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-3-iodopropan-1-ol is sourced from PubChem (CID 167729933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).