2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol

C16H25N3O — CID 64829200

IUPAC2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C16H25N3O/c20-2-1-19-10-13(9-18-19)8-17-16-14-4-11-3-12(6-14)7-15(16)5-11/h9-12,14-17,20H,1-8H2
InChIKeyRIFXZMWHSQLXJL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64829200) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64829200
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C16H25N3O/c20-2-1-19-10-13(9-18-19)8-17-16-14-4-11-3-12(6-14)7-15(16)5-11/h9-12,14-17,20H,1-8H2
InChIKeyRIFXZMWHSQLXJL-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268358
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 75417243
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64830027
ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 64829987
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
2-[4-[[(2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 166298244
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol (CID 64829200) is 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNC2C3CC4CC(C3)CC2C4)cn1.
What is the InChIKey of 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is RIFXZMWHSQLXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-2-1-19-10-13(9-18-19)8-17-16-14-4-11-3-12(6-14)7-15(16)5-11/h9-12,14-17,20H,1-8H2.
What are the key properties of 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 275.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).