4-(4-iodopyrazol-1-yl)cyclohexan-1-ol

C9H13IN2O — CID 58431441

IUPAC4-(4-iodopyrazol-1-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cc(I)cn2)CC1
InChIInChI=1S/C9H13IN2O/c10-7-5-11-12(6-7)8-1-3-9(13)4-2-8/h5-6,8-9,13H,1-4H2
InChIKeyXKOLNMGUDPUDAF-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.96
Rot. Bonds1

About 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol

4-(4-iodopyrazol-1-yl)cyclohexan-1-ol (PubChem CID 58431441) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)cyclohexan-1-ol
PubChem CID58431441
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name4-(4-iodopyrazol-1-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cc(I)cn2)CC1
InChIInChI=1S/C9H13IN2O/c10-7-5-11-12(6-7)8-1-3-9(13)4-2-8/h5-6,8-9,13H,1-4H2
InChIKeyXKOLNMGUDPUDAF-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol (CID 58431441) is 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol is OC1CCC(n2cc(I)cn2)CC1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is XKOLNMGUDPUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c10-7-5-11-12(6-7)8-1-3-9(13)4-2-8/h5-6,8-9,13H,1-4H2.
What are the key properties of 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol?
4-(4-iodopyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 58431441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).