N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine

C₈H₁₄N₄O — CID 151272860

About N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine

N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine (PubChem CID 151272860) has the molecular formula C₈H₁₄N₄O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine
• PubChem CID: 151272860
• Molecular Formula: C₈H₁₄N₄O
• Molecular Weight: 182.23 g/mol
• Exact Mass: 182.12
• IUPAC Name: N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine
• SMILES: CCCc1cn[nH]c1NCC=NO
• InChI: InChI=1S/C8H14N4O/c1-2-3-7-6-10-12-8(7)9-4-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12)
• InChIKey: NWSVVGWCEOUOSI-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 73.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.23
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?

The IUPAC name of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine (CID 151272860) is N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine.

What is the SMILES notation for N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?

The canonical SMILES for N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine is CCCc1cn[nH]c1NCC=NO.

What is the InChIKey of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?

The InChIKey is NWSVVGWCEOUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-7-6-10-12-8(7)9-4-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12).

What are the key properties of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?

N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine has a molecular weight of 182.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine is sourced from PubChem (CID 151272860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151272860 — identifiers, structure, computed properties (public domain)

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