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

C17H26N2O — CID 115811424

IUPAC1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(CC(O)C2C3CC4CC(C3)CC2C4)n(C)n1
InChIInChI=1S/C17H26N2O/c1-10-3-15(19(2)18-10)9-16(20)17-13-5-11-4-12(7-13)8-14(17)6-11/h3,11-14,16-17,20H,4-9H2,1-2H3
InChIKeyJBSMOPRUSNWIDG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds3

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

1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 115811424) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID115811424
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(CC(O)C2C3CC4CC(C3)CC2C4)n(C)n1
InChIInChI=1S/C17H26N2O/c1-10-3-15(19(2)18-10)9-16(20)17-13-5-11-4-12(7-13)8-14(17)6-11/h3,11-14,16-17,20H,4-9H2,1-2H3
InChIKeyJBSMOPRUSNWIDG-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832340
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666506
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79087409
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol (CID 115811424) is 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(CC(O)C2C3CC4CC(C3)CC2C4)n(C)n1.
What is the InChIKey of 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is JBSMOPRUSNWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-10-3-15(19(2)18-10)9-16(20)17-13-5-11-4-12(7-13)8-14(17)6-11/h3,11-14,16-17,20H,4-9H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 274.41 g/mol, XLogP of 2.70, 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-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115811424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).