4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol

C10H15IN2O — CID 67004370

IUPAC4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1nn(C2CCC(O)CC2)cc1I
InChIInChI=1S/C10H15IN2O/c1-7-10(11)6-13(12-7)8-2-4-9(14)5-3-8/h6,8-9,14H,2-5H2,1H3
InChIKeyJSKUQNWWGRMLNV-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.27
Rot. Bonds1

About 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol

4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 67004370) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID67004370
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1nn(C2CCC(O)CC2)cc1I
InChIInChI=1S/C10H15IN2O/c1-7-10(11)6-13(12-7)8-2-4-9(14)5-3-8/h6,8-9,14H,2-5H2,1H3
InChIKeyJSKUQNWWGRMLNV-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.27
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-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol (CID 67004370) is 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol is Cc1nn(C2CCC(O)CC2)cc1I.
What is the InChIKey of 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is JSKUQNWWGRMLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-7-10(11)6-13(12-7)8-2-4-9(14)5-3-8/h6,8-9,14H,2-5H2,1H3.
What are the key properties of 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol?
4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 306.15 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-3-methylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 67004370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).