N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine

C8H15N5 — CID 137309420

IUPACN-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine
SMILESCCN(CC)/N=N/c1cn[nH]c1C
InChIInChI=1S/C8H15N5/c1-4-13(5-2)12-11-8-6-9-10-7(8)3/h6H,4-5H2,1-3H3,(H,9,10)/b12-11+
InChIKeyPACOLNNFJJSUKJ-VAWYXSNFSA-N
MW181.24 g/mol
LogP2.06
Rot. Bonds4

About N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine

N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine (PubChem CID 137309420) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine
PubChem CID137309420
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine
SMILESCCN(CC)/N=N/c1cn[nH]c1C
InChIInChI=1S/C8H15N5/c1-4-13(5-2)12-11-8-6-9-10-7(8)3/h6H,4-5H2,1-3H3,(H,9,10)/b12-11+
InChIKeyPACOLNNFJJSUKJ-VAWYXSNFSA-N
XLogP2.06
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine?
The IUPAC name of N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine (CID 137309420) is N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine is CCN(CC)/N=N/c1cn[nH]c1C.
What is the InChIKey of N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine?
The InChIKey is PACOLNNFJJSUKJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-13(5-2)12-11-8-6-9-10-7(8)3/h6H,4-5H2,1-3H3,(H,9,10)/b12-11+.
What are the key properties of N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine?
N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine has a molecular weight of 181.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine is sourced from PubChem (CID 137309420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).