2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol

C15H27N3O2 — CID 64830147

IUPAC2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCCOC2CCCCC2)cn1
InChIInChI=1S/C15H27N3O2/c19-9-8-18-13-14(12-17-18)11-16-7-4-10-20-15-5-2-1-3-6-15/h12-13,15-16,19H,1-11H2
InChIKeyAMPDYWANKIPAKM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.70
Rot. Bonds9

About 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64830147) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64830147
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCCOC2CCCCC2)cn1
InChIInChI=1S/C15H27N3O2/c19-9-8-18-13-14(12-17-18)11-16-7-4-10-20-15-5-2-1-3-6-15/h12-13,15-16,19H,1-11H2
InChIKeyAMPDYWANKIPAKM-UHFFFAOYSA-N
XLogP1.70
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
CID 79393845
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 64831333
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62127761

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol (CID 64830147) is 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCCCOC2CCCCC2)cn1.
What is the InChIKey of 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is AMPDYWANKIPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-9-8-18-13-14(12-17-18)11-16-7-4-10-20-15-5-2-1-3-6-15/h12-13,15-16,19H,1-11H2.
What are the key properties of 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 281.40 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).