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

C15H21N3O2 — CID 106259621

IUPAC2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCOc1ccccc1CCNCc1cnn(CCO)c1
InChIInChI=1S/C15H21N3O2/c1-20-15-5-3-2-4-14(15)6-7-16-10-13-11-17-18(12-13)8-9-19/h2-5,11-12,16,19H,6-10H2,1H3
InChIKeyCNMZAVCOAMFEJL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.22
Rot. Bonds8

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

2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 106259621) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID106259621
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCOc1ccccc1CCNCc1cnn(CCO)c1
InChIInChI=1S/C15H21N3O2/c1-20-15-5-3-2-4-14(15)6-7-16-10-13-11-17-18(12-13)8-9-19/h2-5,11-12,16,19H,6-10H2,1H3
InChIKeyCNMZAVCOAMFEJL-UHFFFAOYSA-N
XLogP1.22
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.22
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

2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730862
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
CID 72908195
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 106259621) is 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is COc1ccccc1CCNCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is CNMZAVCOAMFEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-15-5-3-2-4-14(15)6-7-16-10-13-11-17-18(12-13)8-9-19/h2-5,11-12,16,19H,6-10H2,1H3.
What are the key properties of 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 106259621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).