4-(ethylperoxymethyl)-1H-pyrazol-5-amine

C6H11N3O2 — CID 23541184

IUPAC4-(ethylperoxymethyl)-1H-pyrazol-5-amine
SMILESCCOOCc1cn[nH]c1N
InChIInChI=1S/C6H11N3O2/c1-2-10-11-4-5-3-8-9-6(5)7/h3H,2,4H2,1H3,(H3,7,8,9)
InChIKeyMHZCUOXAQFCJKC-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.46
Rot. Bonds4

About 4-(ethylperoxymethyl)-1H-pyrazol-5-amine

4-(ethylperoxymethyl)-1H-pyrazol-5-amine (PubChem CID 23541184) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-(ethylperoxymethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylperoxymethyl)-1H-pyrazol-5-amine
PubChem CID23541184
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-(ethylperoxymethyl)-1H-pyrazol-5-amine
SMILESCCOOCc1cn[nH]c1N
InChIInChI=1S/C6H11N3O2/c1-2-10-11-4-5-3-8-9-6(5)7/h3H,2,4H2,1H3,(H3,7,8,9)
InChIKeyMHZCUOXAQFCJKC-UHFFFAOYSA-N
XLogP0.46
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-(ethylperoxymethyl)-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-(ethylperoxymethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine (CID 23541184) is 4-(ethylperoxymethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(ethylperoxymethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(ethylperoxymethyl)-1H-pyrazol-5-amine is CCOOCc1cn[nH]c1N.
What is the InChIKey of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine?
The InChIKey is MHZCUOXAQFCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-10-11-4-5-3-8-9-6(5)7/h3H,2,4H2,1H3,(H3,7,8,9).
What are the key properties of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine?
4-(ethylperoxymethyl)-1H-pyrazol-5-amine has a molecular weight of 157.17 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylperoxymethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 23541184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).