4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol

C11H17IN2O — CID 67003959

IUPAC4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1nn(C2CCC(O)CC2)c(C)c1I
InChIInChI=1S/C11H17IN2O/c1-7-11(12)8(2)14(13-7)9-3-5-10(15)6-4-9/h9-10,15H,3-6H2,1-2H3
InChIKeyJUMIUPVRKFGKRF-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.58
Rot. Bonds1

About 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol

4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 67003959) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID67003959
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC Name4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1nn(C2CCC(O)CC2)c(C)c1I
InChIInChI=1S/C11H17IN2O/c1-7-11(12)8(2)14(13-7)9-3-5-10(15)6-4-9/h9-10,15H,3-6H2,1-2H3
InChIKeyJUMIUPVRKFGKRF-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S*,2R*)-2-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclohexanol
CID 86286438
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 122633452
trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 932118
trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 932117
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexan-1-ol
CID 3714305
1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-iodo-3,5-dimethyl-1H-pyrazole
CID 67003907
cis-4-(4-iodo-5-methyl-1H-pyrazol-1-yl)cyclohexanol
CID 67004041
cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol
CID 67004306
trans-4-(4-iodo-3-methyl-1H-pyrazol-1-yl)cyclohexanol
CID 67004370
trans-4-(3-ethyl-4-iodo-1H-pyrazol-1-yl)cyclohexanol
CID 67004687
1-(trans-4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)-4-iodo-3,5-dimethyl-1H-pyrazole
CID 67004790
4-(4-Iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol
CID 77165583

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol (CID 67003959) is 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol is Cc1nn(C2CCC(O)CC2)c(C)c1I.
What is the InChIKey of 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is JUMIUPVRKFGKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c1-7-11(12)8(2)14(13-7)9-3-5-10(15)6-4-9/h9-10,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 320.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 67003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).