2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol

C13H17N3O2 — CID 43348917

IUPAC2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
SMILESCCOc1ccccc1-c1cc(N)n(CCO)n1
InChIInChI=1S/C13H17N3O2/c1-2-18-12-6-4-3-5-10(12)11-9-13(14)16(15-11)7-8-17/h3-6,9,17H,2,7-8,14H2,1H3
InChIKeyIKTXEUHMHISQFL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.52
Rot. Bonds5

About 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol (PubChem CID 43348917) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
PubChem CID43348917
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
SMILESCCOc1ccccc1-c1cc(N)n(CCO)n1
InChIInChI=1S/C13H17N3O2/c1-2-18-12-6-4-3-5-10(12)11-9-13(14)16(15-11)7-8-17/h3-6,9,17H,2,7-8,14H2,1H3
InChIKeyIKTXEUHMHISQFL-UHFFFAOYSA-N
XLogP1.52
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
2-[5-amino-3-(3-methoxy-4-pyridinyl)pyrazol-1-yl]ethanol
CID 105063635
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
CID 112751510
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445000
2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
CID 43629979
4-chloro-2-(2-ethoxyphenyl)pyridine
CID 102825098
1-butyl-3-(2-methylphenyl)pyrazol-5-amine
CID 61270915

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol (CID 43348917) is 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol is CCOc1ccccc1-c1cc(N)n(CCO)n1.
What is the InChIKey of 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol?
The InChIKey is IKTXEUHMHISQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-18-12-6-4-3-5-10(12)11-9-13(14)16(15-11)7-8-17/h3-6,9,17H,2,7-8,14H2,1H3.
What are the key properties of 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43348917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).