2-pyrazol-1-ylpentanehydrazide

C8H14N4O — CID 83048331

IUPAC2-pyrazol-1-ylpentanehydrazide
SMILESCCCC(C(=O)NN)n1cccn1
InChIInChI=1S/C8H14N4O/c1-2-4-7(8(13)11-9)12-6-3-5-10-12/h3,5-7H,2,4,9H2,1H3,(H,11,13)
InChIKeyJRUYSNBAORUJQK-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.21
Rot. Bonds4

About 2-pyrazol-1-ylpentanehydrazide

2-pyrazol-1-ylpentanehydrazide (PubChem CID 83048331) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-pyrazol-1-ylpentanehydrazide.

Molecular Properties

Compound Name2-pyrazol-1-ylpentanehydrazide
PubChem CID83048331
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-pyrazol-1-ylpentanehydrazide
SMILESCCCC(C(=O)NN)n1cccn1
InChIInChI=1S/C8H14N4O/c1-2-4-7(8(13)11-9)12-6-3-5-10-12/h3,5-7H,2,4,9H2,1H3,(H,11,13)
InChIKeyJRUYSNBAORUJQK-UHFFFAOYSA-N
XLogP0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
CID 175837532
2-(azocan-1-yl)pentanehydrazide
CID 83047792
2-(4-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
2-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
2-(4-benzylpiperazin-1-yl)pentanehydrazide
CID 83052064
ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate
CID 165475420
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
CID 83047306
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
methyl (2R)-2-amino-2-pyrazol-1-ylacetate
CID 122173749
(2S)-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]hexanamide
CID 95319251
(2R)-1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyrazol-1-ylbutan-1-one
CID 125447708

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylpentanehydrazide?
The IUPAC name of 2-pyrazol-1-ylpentanehydrazide (CID 83048331) is 2-pyrazol-1-ylpentanehydrazide.
What is the SMILES notation for 2-pyrazol-1-ylpentanehydrazide?
The canonical SMILES for 2-pyrazol-1-ylpentanehydrazide is CCCC(C(=O)NN)n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylpentanehydrazide?
The InChIKey is JRUYSNBAORUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-4-7(8(13)11-9)12-6-3-5-10-12/h3,5-7H,2,4,9H2,1H3,(H,11,13).
What are the key properties of 2-pyrazol-1-ylpentanehydrazide?
2-pyrazol-1-ylpentanehydrazide has a molecular weight of 182.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylpentanehydrazide is sourced from PubChem (CID 83048331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).