4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine

C7H13N3O2 — CID 123839271

IUPAC4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine
SMILESCCOC(OC)c1cn[nH]c1N
InChIInChI=1S/C7H13N3O2/c1-3-12-7(11-2)5-4-9-10-6(5)8/h4,7H,3H2,1-2H3,(H3,8,9,10)
InChIKeyXMIZIZKNARPDMU-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.67
Rot. Bonds4

About 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine

4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine (PubChem CID 123839271) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine
PubChem CID123839271
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine
SMILESCCOC(OC)c1cn[nH]c1N
InChIInChI=1S/C7H13N3O2/c1-3-12-7(11-2)5-4-9-10-6(5)8/h4,7H,3H2,1-2H3,(H3,8,9,10)
InChIKeyXMIZIZKNARPDMU-UHFFFAOYSA-N
XLogP0.67
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine (CID 123839271) is 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine is CCOC(OC)c1cn[nH]c1N.
What is the InChIKey of 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine?
The InChIKey is XMIZIZKNARPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-12-7(11-2)5-4-9-10-6(5)8/h4,7H,3H2,1-2H3,(H3,8,9,10).
What are the key properties of 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine?
4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine has a molecular weight of 171.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(methoxy)methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 123839271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).