1-(1H-pyrazol-4-yloxy)ethanamine

C5H9N3O — CID 117230019

IUPAC1-(1H-pyrazol-4-yloxy)ethanamine
SMILESCC(N)Oc1cn[nH]c1
InChIInChI=1S/C5H9N3O/c1-4(6)9-5-2-7-8-3-5/h2-4H,6H2,1H3,(H,7,8)
InChIKeyMJHOYILPTKBXPZ-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.09
Rot. Bonds2

About 1-(1H-pyrazol-4-yloxy)ethanamine

1-(1H-pyrazol-4-yloxy)ethanamine (PubChem CID 117230019) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yloxy)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yloxy)ethanamine
PubChem CID117230019
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(1H-pyrazol-4-yloxy)ethanamine
SMILESCC(N)Oc1cn[nH]c1
InChIInChI=1S/C5H9N3O/c1-4(6)9-5-2-7-8-3-5/h2-4H,6H2,1H3,(H,7,8)
InChIKeyMJHOYILPTKBXPZ-UHFFFAOYSA-N
XLogP0.09
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine
CID 82408091
1-(1,2-thiazol-4-yloxy)ethanamine
CID 117230048
1-(4-fluorophenoxy)ethanamine
CID 68874100
3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine
CID 82416778
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231082
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
4-bromo-1H-pyrazole;methanamine
CID 174368841
N-methyl-2-(1H-pyrazol-4-yloxy)ethanamine
CID 117230026
4-(4-tert-butylphenoxy)-1H-pyrazole
CID 97179605
1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 130573356

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yloxy)ethanamine?
The IUPAC name of 1-(1H-pyrazol-4-yloxy)ethanamine (CID 117230019) is 1-(1H-pyrazol-4-yloxy)ethanamine.
What is the SMILES notation for 1-(1H-pyrazol-4-yloxy)ethanamine?
The canonical SMILES for 1-(1H-pyrazol-4-yloxy)ethanamine is CC(N)Oc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yloxy)ethanamine?
The InChIKey is MJHOYILPTKBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(6)9-5-2-7-8-3-5/h2-4H,6H2,1H3,(H,7,8).
What are the key properties of 1-(1H-pyrazol-4-yloxy)ethanamine?
1-(1H-pyrazol-4-yloxy)ethanamine has a molecular weight of 127.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yloxy)ethanamine is sourced from PubChem (CID 117230019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).