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

C9H17N3O — CID 81342336

IUPACN-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCCNCCCOc1cc(C)[nH]n1
InChIInChI=1S/C9H17N3O/c1-3-10-5-4-6-13-9-7-8(2)11-12-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyCYWCNNXSPZBKEZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds6

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

N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 81342336) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID81342336
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCCNCCCOc1cc(C)[nH]n1
InChIInChI=1S/C9H17N3O/c1-3-10-5-4-6-13-9-7-8(2)11-12-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyCYWCNNXSPZBKEZ-UHFFFAOYSA-N
XLogP1.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.10
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 N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 81342336) is N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is CCNCCCOc1cc(C)[nH]n1.
What is the InChIKey of N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is CYWCNNXSPZBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-10-5-4-6-13-9-7-8(2)11-12-9/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 81342336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).