(3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol

C11H13IN4O2 — CID 164719173

IUPAC(3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(C3COC3)c2)c(I)n1
InChIInChI=1S/C11H13IN4O2/c1-15-4-9(11(12)14-15)10(17)7-2-13-16(3-7)8-5-18-6-8/h2-4,8,10,17H,5-6H2,1H3
InChIKeyRFSNHYRLRLACKH-UHFFFAOYSA-N
MW360.16 g/mol
LogP0.87
Rot. Bonds3

About (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol

(3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol (PubChem CID 164719173) has the molecular formula C11H13IN4O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol
PubChem CID164719173
Molecular FormulaC11H13IN4O2
Molecular Weight360.16 g/mol
Exact Mass360.01
IUPAC Name(3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(C3COC3)c2)c(I)n1
InChIInChI=1S/C11H13IN4O2/c1-15-4-9(11(12)14-15)10(17)7-2-13-16(3-7)8-5-18-6-8/h2-4,8,10,17H,5-6H2,1H3
InChIKeyRFSNHYRLRLACKH-UHFFFAOYSA-N
XLogP0.87
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-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

Frequently Asked Questions

What is the IUPAC name of (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol?
The IUPAC name of (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol (CID 164719173) is (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol?
The canonical SMILES for (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol is Cn1cc(C(O)c2cnn(C3COC3)c2)c(I)n1.
What is the InChIKey of (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol?
The InChIKey is RFSNHYRLRLACKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O2/c1-15-4-9(11(12)14-15)10(17)7-2-13-16(3-7)8-5-18-6-8/h2-4,8,10,17H,5-6H2,1H3.
What are the key properties of (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol?
(3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol has a molecular weight of 360.16 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-1-methylpyrazol-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 164719173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).