2-(4-amino-3-methoxypyrazol-1-yl)ethanol

C6H11N3O2 — CID 67112257

IUPAC2-(4-amino-3-methoxypyrazol-1-yl)ethanol
SMILESCOc1nn(CCO)cc1N
InChIInChI=1S/C6H11N3O2/c1-11-6-5(7)4-9(8-6)2-3-10/h4,10H,2-3,7H2,1H3
InChIKeyWPSBBRZTJMVTHW-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.53
Rot. Bonds3

About 2-(4-amino-3-methoxypyrazol-1-yl)ethanol

2-(4-amino-3-methoxypyrazol-1-yl)ethanol (PubChem CID 67112257) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(4-amino-3-methoxypyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-methoxypyrazol-1-yl)ethanol
PubChem CID67112257
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-(4-amino-3-methoxypyrazol-1-yl)ethanol
SMILESCOc1nn(CCO)cc1N
InChIInChI=1S/C6H11N3O2/c1-11-6-5(7)4-9(8-6)2-3-10/h4,10H,2-3,7H2,1H3
InChIKeyWPSBBRZTJMVTHW-UHFFFAOYSA-N
XLogP-0.53
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxypyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-amino-3-methoxypyrazol-1-yl)ethanol (CID 67112257) is 2-(4-amino-3-methoxypyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-3-methoxypyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-3-methoxypyrazol-1-yl)ethanol is COc1nn(CCO)cc1N.
What is the InChIKey of 2-(4-amino-3-methoxypyrazol-1-yl)ethanol?
The InChIKey is WPSBBRZTJMVTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-11-6-5(7)4-9(8-6)2-3-10/h4,10H,2-3,7H2,1H3.
What are the key properties of 2-(4-amino-3-methoxypyrazol-1-yl)ethanol?
2-(4-amino-3-methoxypyrazol-1-yl)ethanol has a molecular weight of 157.17 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxypyrazol-1-yl)ethanol is sourced from PubChem (CID 67112257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).