1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

C10H19N3O2 — CID 115655367

IUPAC1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCOCCOCC(C)NCc1ccn[nH]1
InChIInChI=1S/C10H19N3O2/c1-9(8-15-6-5-14-2)11-7-10-3-4-12-13-10/h3-4,9,11H,5-8H2,1-2H3,(H,12,13)
InChIKeyFVCGIDDBRFMTMD-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.55
Rot. Bonds8

About 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (PubChem CID 115655367) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
PubChem CID115655367
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCOCCOCC(C)NCc1ccn[nH]1
InChIInChI=1S/C10H19N3O2/c1-9(8-15-6-5-14-2)11-7-10-3-4-12-13-10/h3-4,9,11H,5-8H2,1-2H3,(H,12,13)
InChIKeyFVCGIDDBRFMTMD-UHFFFAOYSA-N
XLogP0.55
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (CID 115655367) is 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is COCCOCC(C)NCc1ccn[nH]1.
What is the InChIKey of 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The InChIKey is FVCGIDDBRFMTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9(8-15-6-5-14-2)11-7-10-3-4-12-13-10/h3-4,9,11H,5-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 115655367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).