2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol

C14H25N3O — CID 103014031

IUPAC2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
SMILESCn1nccc1CCN(CCO)C1CCCCC1
InChIInChI=1S/C14H25N3O/c1-16-13(7-9-15-16)8-10-17(11-12-18)14-5-3-2-4-6-14/h7,9,14,18H,2-6,8,10-12H2,1H3
InChIKeyYAFSPXZAXKUWCK-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.59
Rot. Bonds6

About 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol

2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol (PubChem CID 103014031) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
PubChem CID103014031
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
SMILESCn1nccc1CCN(CCO)C1CCCCC1
InChIInChI=1S/C14H25N3O/c1-16-13(7-9-15-16)8-10-17(11-12-18)14-5-3-2-4-6-14/h7,9,14,18H,2-6,8,10-12H2,1H3
InChIKeyYAFSPXZAXKUWCK-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol (CID 103014031) is 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol is Cn1nccc1CCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol?
The InChIKey is YAFSPXZAXKUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-13(7-9-15-16)8-10-17(11-12-18)14-5-3-2-4-6-14/h7,9,14,18H,2-6,8,10-12H2,1H3.
What are the key properties of 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol?
2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol is sourced from PubChem (CID 103014031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).