cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol

C9H13IN2O — CID 130637937

IUPACcyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
SMILESCn1ncc(C(O)C2CCC2)c1I
InChIInChI=1S/C9H13IN2O/c1-12-9(10)7(5-11-12)8(13)6-3-2-4-6/h5-6,8,13H,2-4H2,1H3
InChIKeyPMLLJRJDYPHPBK-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.86
Rot. Bonds2

About cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol

cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 130637937) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
PubChem CID130637937
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Namecyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
SMILESCn1ncc(C(O)C2CCC2)c1I
InChIInChI=1S/C9H13IN2O/c1-12-9(10)7(5-11-12)8(13)6-3-2-4-6/h5-6,8,13H,2-4H2,1H3
InChIKeyPMLLJRJDYPHPBK-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclobutyl-(5-iodo-1-methylpyrazol-4-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

Related Compounds

[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine
CID 131107647
1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 131031515
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
cyclobutyl-(2-iodophenyl)methanol
CID 115837930
cyclobutyl-(4-methylfuran-3-yl)methanol
CID 131150521
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
CID 83090918
(5-amino-1-methylpyrazol-4-yl)-(4-cyclobutylphenyl)methanol
CID 116505787
cycloheptyl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
CID 103129150

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol (CID 130637937) is cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol is Cn1ncc(C(O)C2CCC2)c1I.
What is the InChIKey of cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol?
The InChIKey is PMLLJRJDYPHPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-12-9(10)7(5-11-12)8(13)6-3-2-4-6/h5-6,8,13H,2-4H2,1H3.
What are the key properties of cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol?
cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol has a molecular weight of 292.12 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 130637937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).