1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol

C17H25ClN2O — CID 115832340

IUPAC1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(Cl)c1CC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25ClN2O/c1-9-14(17(18)20(2)19-9)8-15(21)16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,15-16,21H,3-8H2,1-2H3
InChIKeyLAAZVWVBHISHKO-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.36
Rot. Bonds3

About 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol

1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 115832340) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID115832340
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(Cl)c1CC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25ClN2O/c1-9-14(17(18)20(2)19-9)8-15(21)16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,15-16,21H,3-8H2,1-2H3
InChIKeyLAAZVWVBHISHKO-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811424
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
CID 115832460
1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782445
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol
CID 116711010
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-N-methylpentan-2-amine
CID 105035069
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol (CID 115832340) is 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(Cl)c1CC(O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is LAAZVWVBHISHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-9-14(17(18)20(2)19-9)8-15(21)16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,15-16,21H,3-8H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 308.85 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115832340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).