1-(2-aminoethyl)pyrazol-4-ol

C5H9N3O — CID 82418781

IUPAC1-(2-aminoethyl)pyrazol-4-ol
SMILESNCCn1cc(O)cn1
InChIInChI=1S/C5H9N3O/c6-1-2-8-4-5(9)3-7-8/h3-4,9H,1-2,6H2
InChIKeyVVOBCUUUFBVKQR-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.45
Rot. Bonds2

About 1-(2-aminoethyl)pyrazol-4-ol

1-(2-aminoethyl)pyrazol-4-ol (PubChem CID 82418781) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrazol-4-ol
PubChem CID82418781
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(2-aminoethyl)pyrazol-4-ol
SMILESNCCn1cc(O)cn1
InChIInChI=1S/C5H9N3O/c6-1-2-8-4-5(9)3-7-8/h3-4,9H,1-2,6H2
InChIKeyVVOBCUUUFBVKQR-UHFFFAOYSA-N
XLogP-0.45
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrazol-4-ol?
The IUPAC name of 1-(2-aminoethyl)pyrazol-4-ol (CID 82418781) is 1-(2-aminoethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2-aminoethyl)pyrazol-4-ol?
The canonical SMILES for 1-(2-aminoethyl)pyrazol-4-ol is NCCn1cc(O)cn1.
What is the InChIKey of 1-(2-aminoethyl)pyrazol-4-ol?
The InChIKey is VVOBCUUUFBVKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-1-2-8-4-5(9)3-7-8/h3-4,9H,1-2,6H2.
What are the key properties of 1-(2-aminoethyl)pyrazol-4-ol?
1-(2-aminoethyl)pyrazol-4-ol has a molecular weight of 127.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrazol-4-ol is sourced from PubChem (CID 82418781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).