2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol

C14H25N3O — CID 113234362

IUPAC2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol
SMILESCc1cnn(CCN(CCO)C2CCCCC2)c1
InChIInChI=1S/C14H25N3O/c1-13-11-15-17(12-13)8-7-16(9-10-18)14-5-3-2-4-6-14/h11-12,14,18H,2-10H2,1H3
InChIKeyIXCOFQPXAVWGMP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.82
Rot. Bonds6

About 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol

2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol (PubChem CID 113234362) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol
PubChem CID113234362
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol
SMILESCc1cnn(CCN(CCO)C2CCCCC2)c1
InChIInChI=1S/C14H25N3O/c1-13-11-15-17(12-13)8-7-16(9-10-18)14-5-3-2-4-6-14/h11-12,14,18H,2-10H2,1H3
InChIKeyIXCOFQPXAVWGMP-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol (CID 113234362) is 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol is Cc1cnn(CCN(CCO)C2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol?
The InChIKey is IXCOFQPXAVWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13-11-15-17(12-13)8-7-16(9-10-18)14-5-3-2-4-6-14/h11-12,14,18H,2-10H2,1H3.
What are the key properties of 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol?
2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol is sourced from PubChem (CID 113234362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).