2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol

C13H17N3O2 — CID 107708620

IUPAC2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol
SMILESNc1ccn(CCOc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H17N3O2/c14-13-5-7-16(15-13)8-10-18-12-3-1-11(2-4-12)6-9-17/h1-5,7,17H,6,8-10H2,(H2,14,15)
InChIKeyBCFOYDZHQBFBSF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds6

About 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol

2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol (PubChem CID 107708620) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol
PubChem CID107708620
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol
SMILESNc1ccn(CCOc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H17N3O2/c14-13-5-7-16(15-13)8-10-18-12-3-1-11(2-4-12)6-9-17/h1-5,7,17H,6,8-10H2,(H2,14,15)
InChIKeyBCFOYDZHQBFBSF-UHFFFAOYSA-N
XLogP1.08
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol (CID 107708620) is 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol is Nc1ccn(CCOc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol?
The InChIKey is BCFOYDZHQBFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13-5-7-16(15-13)8-10-18-12-3-1-11(2-4-12)6-9-17/h1-5,7,17H,6,8-10H2,(H2,14,15).
What are the key properties of 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol?
2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-aminopyrazol-1-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).