1-(5-amino-1H-pyrazol-4-yl)ethanol

C5H9N3O — CID 65361775

IUPAC1-(5-amino-1H-pyrazol-4-yl)ethanol
SMILESCC(O)c1cn[nH]c1N
InChIInChI=1S/C5H9N3O/c1-3(9)4-2-7-8-5(4)6/h2-3,9H,1H3,(H3,6,7,8)
InChIKeyZAASNPSLRXFKBE-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.05
Rot. Bonds1

About 1-(5-amino-1H-pyrazol-4-yl)ethanol

1-(5-amino-1H-pyrazol-4-yl)ethanol (PubChem CID 65361775) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)ethanol
PubChem CID65361775
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)ethanol
SMILESCC(O)c1cn[nH]c1N
InChIInChI=1S/C5H9N3O/c1-3(9)4-2-7-8-5(4)6/h2-3,9H,1H3,(H3,6,7,8)
InChIKeyZAASNPSLRXFKBE-UHFFFAOYSA-N
XLogP0.05
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)ethanol (CID 65361775) is 1-(5-amino-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)ethanol is CC(O)c1cn[nH]c1N.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)ethanol?
The InChIKey is ZAASNPSLRXFKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3(9)4-2-7-8-5(4)6/h2-3,9H,1H3,(H3,6,7,8).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)ethanol has a molecular weight of 127.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 65361775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).