4-ethoxypyrazol-1-amine

C5H9N3O — CID 15369772

IUPAC4-ethoxypyrazol-1-amine
SMILESCCOc1cnn(N)c1
InChIInChI=1S/C5H9N3O/c1-2-9-5-3-7-8(6)4-5/h3-4H,2,6H2,1H3
InChIKeyVFYKIUDFJIZOER-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.00
Rot. Bonds2

About 4-ethoxypyrazol-1-amine

4-ethoxypyrazol-1-amine (PubChem CID 15369772) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-ethoxypyrazol-1-amine.

Molecular Properties

Compound Name4-ethoxypyrazol-1-amine
PubChem CID15369772
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-ethoxypyrazol-1-amine
SMILESCCOc1cnn(N)c1
InChIInChI=1S/C5H9N3O/c1-2-9-5-3-7-8(6)4-5/h3-4H,2,6H2,1H3
InChIKeyVFYKIUDFJIZOER-UHFFFAOYSA-N
XLogP-0.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxypyrazol-1-amine?
The IUPAC name of 4-ethoxypyrazol-1-amine (CID 15369772) is 4-ethoxypyrazol-1-amine.
What is the SMILES notation for 4-ethoxypyrazol-1-amine?
The canonical SMILES for 4-ethoxypyrazol-1-amine is CCOc1cnn(N)c1.
What is the InChIKey of 4-ethoxypyrazol-1-amine?
The InChIKey is VFYKIUDFJIZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-9-5-3-7-8(6)4-5/h3-4H,2,6H2,1H3.
What are the key properties of 4-ethoxypyrazol-1-amine?
4-ethoxypyrazol-1-amine has a molecular weight of 127.15 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypyrazol-1-amine is sourced from PubChem (CID 15369772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).