2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol

C15H22N4O — CID 107978417

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCn1cnc(C(O)Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C15H22N4O/c1-18-10-14(16-11-18)15(20)9-12-7-8-19(17-12)13-5-3-2-4-6-13/h7-8,10-11,13,15,20H,2-6,9H2,1H3
InChIKeyHBCHJTDOUXTIEG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.40
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol

2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 107978417) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
PubChem CID107978417
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCn1cnc(C(O)Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C15H22N4O/c1-18-10-14(16-11-18)15(20)9-12-7-8-19(17-12)13-5-3-2-4-6-13/h7-8,10-11,13,15,20H,2-6,9H2,1H3
InChIKeyHBCHJTDOUXTIEG-UHFFFAOYSA-N
XLogP2.40
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975620
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 64785093
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105102425
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol (CID 107978417) is 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol is Cn1cnc(C(O)Cc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is HBCHJTDOUXTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-10-14(16-11-18)15(20)9-12-7-8-19(17-12)13-5-3-2-4-6-13/h7-8,10-11,13,15,20H,2-6,9H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol?
2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 274.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 107978417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).