1-benzylperoxy-5-tert-butylpyrazol-3-amine

C14H19N3O2 — CID 157041725

IUPAC1-benzylperoxy-5-tert-butylpyrazol-3-amine
SMILESCC(C)(C)c1cc(N)nn1OOCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12-9-13(15)16-17(12)19-18-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,15,16)
InChIKeyMEVVMFSIPDUMSV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds4

About 1-benzylperoxy-5-tert-butylpyrazol-3-amine

1-benzylperoxy-5-tert-butylpyrazol-3-amine (PubChem CID 157041725) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-benzylperoxy-5-tert-butylpyrazol-3-amine.

Molecular Properties

Compound Name1-benzylperoxy-5-tert-butylpyrazol-3-amine
PubChem CID157041725
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-benzylperoxy-5-tert-butylpyrazol-3-amine
SMILESCC(C)(C)c1cc(N)nn1OOCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12-9-13(15)16-17(12)19-18-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,15,16)
InChIKeyMEVVMFSIPDUMSV-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-benzylperoxy-5-tert-butylpyrazol-3-amine?
The IUPAC name of 1-benzylperoxy-5-tert-butylpyrazol-3-amine (CID 157041725) is 1-benzylperoxy-5-tert-butylpyrazol-3-amine.
What is the SMILES notation for 1-benzylperoxy-5-tert-butylpyrazol-3-amine?
The canonical SMILES for 1-benzylperoxy-5-tert-butylpyrazol-3-amine is CC(C)(C)c1cc(N)nn1OOCc1ccccc1.
What is the InChIKey of 1-benzylperoxy-5-tert-butylpyrazol-3-amine?
The InChIKey is MEVVMFSIPDUMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)12-9-13(15)16-17(12)19-18-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,15,16).
What are the key properties of 1-benzylperoxy-5-tert-butylpyrazol-3-amine?
1-benzylperoxy-5-tert-butylpyrazol-3-amine has a molecular weight of 261.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylperoxy-5-tert-butylpyrazol-3-amine is sourced from PubChem (CID 157041725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).