4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol

C16H28N2O — CID 62126069

IUPAC4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
SMILESCCn1cc(CC2(O)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H28N2O/c1-5-18-12-13(11-17-18)10-16(19)8-6-14(7-9-16)15(2,3)4/h11-12,14,19H,5-10H2,1-4H3
InChIKeyUOMXLMCCJMELJA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.41
Rot. Bonds3

About 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol

4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol (PubChem CID 62126069) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
PubChem CID62126069
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
SMILESCCn1cc(CC2(O)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H28N2O/c1-5-18-12-13(11-17-18)10-16(19)8-6-14(7-9-16)15(2,3)4/h11-12,14,19H,5-10H2,1-4H3
InChIKeyUOMXLMCCJMELJA-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63585891
1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 65401293
2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127480
4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
CID 65077667
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine
CID 65051683
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol (CID 62126069) is 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol is CCn1cc(CC2(O)CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is UOMXLMCCJMELJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18-12-13(11-17-18)10-16(19)8-6-14(7-9-16)15(2,3)4/h11-12,14,19H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol?
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62126069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).