3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol

C8H15N3O — CID 63376807

IUPAC3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol
SMILESCCn1ncc(CCCO)c1N
InChIInChI=1S/C8H15N3O/c1-2-11-8(9)7(6-10-11)4-3-5-12/h6,12H,2-5,9H2,1H3
InChIKeyNSDCCHZPKKNQGH-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.41
Rot. Bonds4

About 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol

3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol (PubChem CID 63376807) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol
PubChem CID63376807
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol
SMILESCCn1ncc(CCCO)c1N
InChIInChI=1S/C8H15N3O/c1-2-11-8(9)7(6-10-11)4-3-5-12/h6,12H,2-5,9H2,1H3
InChIKeyNSDCCHZPKKNQGH-UHFFFAOYSA-N
XLogP0.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol (CID 63376807) is 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol is CCn1ncc(CCCO)c1N.
What is the InChIKey of 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol?
The InChIKey is NSDCCHZPKKNQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-11-8(9)7(6-10-11)4-3-5-12/h6,12H,2-5,9H2,1H3.
What are the key properties of 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol?
3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-ethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 63376807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).