1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine

C8H15N3O2 — CID 62138270

IUPAC1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
SMILESCOCCOCCn1cc(N)cn1
InChIInChI=1S/C8H15N3O2/c1-12-4-5-13-3-2-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3
InChIKeyFIXJVIXOSXIUDB-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.13
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine

1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine (PubChem CID 62138270) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
PubChem CID62138270
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
SMILESCOCCOCCn1cc(N)cn1
InChIInChI=1S/C8H15N3O2/c1-12-4-5-13-3-2-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3
InChIKeyFIXJVIXOSXIUDB-UHFFFAOYSA-N
XLogP0.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine (CID 62138270) is 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine is COCCOCCn1cc(N)cn1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine?
The InChIKey is FIXJVIXOSXIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-12-4-5-13-3-2-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine?
1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine has a molecular weight of 185.23 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).