4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen

C6H13N3O2 — CID 160762404

IUPAC4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen
SMILESCCOOCc1cn[nH]c1N.[H][H]
InChIInChI=1S/C6H11N3O2.H2/c1-2-10-11-4-5-3-8-9-6(5)7;/h3H,2,4H2,1H3,(H3,7,8,9);1H
InChIKeyRYFUOEAIPJNFBG-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.71
Rot. Bonds4

About 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen

4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen (PubChem CID 160762404) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen.

Molecular Properties

Compound Name4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen
PubChem CID160762404
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen
SMILESCCOOCc1cn[nH]c1N.[H][H]
InChIInChI=1S/C6H11N3O2.H2/c1-2-10-11-4-5-3-8-9-6(5)7;/h3H,2,4H2,1H3,(H3,7,8,9);1H
InChIKeyRYFUOEAIPJNFBG-UHFFFAOYSA-N
XLogP0.71
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen?
The IUPAC name of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen (CID 160762404) is 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen.
What is the SMILES notation for 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen?
The canonical SMILES for 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen is CCOOCc1cn[nH]c1N.[H][H].
What is the InChIKey of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen?
The InChIKey is RYFUOEAIPJNFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.H2/c1-2-10-11-4-5-3-8-9-6(5)7;/h3H,2,4H2,1H3,(H3,7,8,9);1H.
What are the key properties of 4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen?
4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen has a molecular weight of 159.19 g/mol, XLogP of 0.71, 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;molecular hydrogen is sourced from PubChem (CID 160762404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).