2-(5-aminopentyl)-1H-pyrazol-3-one

C8H15N3O — CID 70524379

IUPAC2-(5-aminopentyl)-1H-pyrazol-3-one
SMILESNCCCCCn1[nH]ccc1=O
InChIInChI=1S/C8H15N3O/c9-5-2-1-3-7-11-8(12)4-6-10-11/h4,6,10H,1-3,5,7,9H2
InChIKeyIAWLBYDTZIITIK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.31
Rot. Bonds5

About 2-(5-aminopentyl)-1H-pyrazol-3-one

2-(5-aminopentyl)-1H-pyrazol-3-one (PubChem CID 70524379) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(5-aminopentyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-aminopentyl)-1H-pyrazol-3-one
PubChem CID70524379
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(5-aminopentyl)-1H-pyrazol-3-one
SMILESNCCCCCn1[nH]ccc1=O
InChIInChI=1S/C8H15N3O/c9-5-2-1-3-7-11-8(12)4-6-10-11/h4,6,10H,1-3,5,7,9H2
InChIKeyIAWLBYDTZIITIK-UHFFFAOYSA-N
XLogP0.31
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1H-pyrazol-5-ol hydrochloride
CID 13784885
1-Acrylpyrazoline
CID 129787388
1-ethyl-1H-pyrazol-5-ol
CID 10313108
1-butyl-1H-pyrazol-5-ol
CID 10176180
1-(2-Methylpropyl)-1h-pyrazol-5-ol
CID 10176181
1-propyl-1H-pyrazol-5-ol
CID 10290801
2-prop-2-enyl-1H-pyrazol-3-one
CID 13933949
1-(3-methylbutyl)-1H-pyrazol-5-ol
CID 21337431
1-cyclopentyl-1H-pyrazol-5-ol
CID 22735156
1-Butyl-1,2-dihydro-3H-pyrazol-3-one
CID 22918622
2-pentyl-1H-pyrazol-5-one
CID 58951372
2-pentyl-1H-pyrazol-3-one
CID 66714758

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(5-aminopentyl)-1H-pyrazol-3-one (CID 70524379) is 2-(5-aminopentyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-aminopentyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-aminopentyl)-1H-pyrazol-3-one is NCCCCCn1[nH]ccc1=O.
What is the InChIKey of 2-(5-aminopentyl)-1H-pyrazol-3-one?
The InChIKey is IAWLBYDTZIITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-5-2-1-3-7-11-8(12)4-6-10-11/h4,6,10H,1-3,5,7,9H2.
What are the key properties of 2-(5-aminopentyl)-1H-pyrazol-3-one?
2-(5-aminopentyl)-1H-pyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentyl)-1H-pyrazol-3-one is sourced from PubChem (CID 70524379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).