2-(5-amino-3-methylpyrazol-1-yl)ethanol

C6H11N3O — CID 5018373

IUPAC2-(5-amino-3-methylpyrazol-1-yl)ethanol
SMILESCc1cc(N)n(CCO)n1
InChIInChI=1S/C6H11N3O/c1-5-4-6(7)9(8-5)2-3-10/h4,10H,2-3,7H2,1H3
InChIKeyANQYOZSPKNDFPD-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds2

About 2-(5-amino-3-methylpyrazol-1-yl)ethanol

2-(5-amino-3-methylpyrazol-1-yl)ethanol (PubChem CID 5018373) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)ethanol
PubChem CID5018373
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)ethanol
SMILESCc1cc(N)n(CCO)n1
InChIInChI=1S/C6H11N3O/c1-5-4-6(7)9(8-5)2-3-10/h4,10H,2-3,7H2,1H3
InChIKeyANQYOZSPKNDFPD-UHFFFAOYSA-N
XLogP-0.23
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)ethanol (CID 5018373) is 2-(5-amino-3-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)ethanol is Cc1cc(N)n(CCO)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)ethanol?
The InChIKey is ANQYOZSPKNDFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-4-6(7)9(8-5)2-3-10/h4,10H,2-3,7H2,1H3.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)ethanol?
2-(5-amino-3-methylpyrazol-1-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)ethanol is sourced from PubChem (CID 5018373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).