3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C9H17N3O — CID 43662357

IUPAC3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCCOCCCNCc1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-2-13-7-3-5-10-8-9-4-6-11-12-9/h4,6,10H,2-3,5,7-8H2,1H3,(H,11,12)
InChIKeyNDDZXSAKPQOCKW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.93
Rot. Bonds7

About 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662357) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662357
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCCOCCCNCc1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-2-13-7-3-5-10-8-9-4-6-11-12-9/h4,6,10H,2-3,5,7-8H2,1H3,(H,11,12)
InChIKeyNDDZXSAKPQOCKW-UHFFFAOYSA-N
XLogP0.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.93
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-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662357) is 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is CCOCCCNCc1ccn[nH]1.
What is the InChIKey of 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is NDDZXSAKPQOCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-13-7-3-5-10-8-9-4-6-11-12-9/h4,6,10H,2-3,5,7-8H2,1H3,(H,11,12).
What are the key properties of 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).