3-(2-methoxyethoxy)-1-methylpyrazol-4-amine

C7H13N3O2 — CID 90480922

IUPAC3-(2-methoxyethoxy)-1-methylpyrazol-4-amine
SMILESCOCCOc1nn(C)cc1N
InChIInChI=1S/C7H13N3O2/c1-10-5-6(8)7(9-10)12-4-3-11-2/h5H,3-4,8H2,1-2H3
InChIKeyNRTSLSMJVKEJRL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.03
Rot. Bonds4

About 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine

3-(2-methoxyethoxy)-1-methylpyrazol-4-amine (PubChem CID 90480922) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-methylpyrazol-4-amine
PubChem CID90480922
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-(2-methoxyethoxy)-1-methylpyrazol-4-amine
SMILESCOCCOc1nn(C)cc1N
InChIInChI=1S/C7H13N3O2/c1-10-5-6(8)7(9-10)12-4-3-11-2/h5H,3-4,8H2,1-2H3
InChIKeyNRTSLSMJVKEJRL-UHFFFAOYSA-N
XLogP0.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.03
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 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine (CID 90480922) is 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine is COCCOc1nn(C)cc1N.
What is the InChIKey of 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine?
The InChIKey is NRTSLSMJVKEJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-10-5-6(8)7(9-10)12-4-3-11-2/h5H,3-4,8H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine?
3-(2-methoxyethoxy)-1-methylpyrazol-4-amine has a molecular weight of 171.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 90480922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).