2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol

C17H23N3O2 — CID 71849564

IUPAC2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol
SMILESOCCC1(NCc2ccc(-n3cccn3)cc2)CCOCC1
InChIInChI=1S/C17H23N3O2/c21-11-6-17(7-12-22-13-8-17)18-14-15-2-4-16(5-3-15)20-10-1-9-19-20/h1-5,9-10,18,21H,6-8,11-14H2
InChIKeySEYYHWLWRUBIRE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol

2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol (PubChem CID 71849564) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol
PubChem CID71849564
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol
SMILESOCCC1(NCc2ccc(-n3cccn3)cc2)CCOCC1
InChIInChI=1S/C17H23N3O2/c21-11-6-17(7-12-22-13-8-17)18-14-15-2-4-16(5-3-15)20-10-1-9-19-20/h1-5,9-10,18,21H,6-8,11-14H2
InChIKeySEYYHWLWRUBIRE-UHFFFAOYSA-N
XLogP1.89
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250
N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide
CID 71917564
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 71967541
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
6-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]-1,4-oxazepan-6-ol
CID 70716640
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111003487
2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
CID 115673951
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol?
The IUPAC name of 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol (CID 71849564) is 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol is OCCC1(NCc2ccc(-n3cccn3)cc2)CCOCC1.
What is the InChIKey of 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol?
The InChIKey is SEYYHWLWRUBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-11-6-17(7-12-22-13-8-17)18-14-15-2-4-16(5-3-15)20-10-1-9-19-20/h1-5,9-10,18,21H,6-8,11-14H2.
What are the key properties of 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol?
2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol is sourced from PubChem (CID 71849564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).