3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine

C7H13N3O — CID 81341785

IUPAC3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1cc(OCCCN)n[nH]1
InChIInChI=1S/C7H13N3O/c1-6-5-7(10-9-6)11-4-2-3-8/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyPDGHHTQEFCPEGH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds4

About 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine

3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 81341785) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID81341785
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1cc(OCCCN)n[nH]1
InChIInChI=1S/C7H13N3O/c1-6-5-7(10-9-6)11-4-2-3-8/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyPDGHHTQEFCPEGH-UHFFFAOYSA-N
XLogP0.45
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 81341785) is 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is Cc1cc(OCCCN)n[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is PDGHHTQEFCPEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-5-7(10-9-6)11-4-2-3-8/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 81341785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).