[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol

C6H9BrN2O — CID 123958494

IUPAC[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1ncc(CBr)c1CO
InChIInChI=1S/C6H9BrN2O/c1-9-6(4-10)5(2-7)3-8-9/h3,10H,2,4H2,1H3
InChIKeyQPDKYZKVGJKSMG-UHFFFAOYSA-N
MW205.05 g/mol
LogP0.81
Rot. Bonds2

About [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol

[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol (PubChem CID 123958494) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
PubChem CID123958494
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1ncc(CBr)c1CO
InChIInChI=1S/C6H9BrN2O/c1-9-6(4-10)5(2-7)3-8-9/h3,10H,2,4H2,1H3
InChIKeyQPDKYZKVGJKSMG-UHFFFAOYSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol 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 [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol (CID 123958494) is [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol is Cn1ncc(CBr)c1CO.
What is the InChIKey of [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol?
The InChIKey is QPDKYZKVGJKSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-9-6(4-10)5(2-7)3-8-9/h3,10H,2,4H2,1H3.
What are the key properties of [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol?
[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol has a molecular weight of 205.05 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 123958494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).