3-pentyl-4,5-dihydro-1H-pyrazol-5-ol

C8H16N2O — CID 70293614

IUPAC3-pentyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCCCCCC1=NNC(O)C1
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h8,10-11H,2-6H2,1H3
InChIKeyWWALKEFOSXVIAJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.23
Rot. Bonds4

About 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol

3-pentyl-4,5-dihydro-1H-pyrazol-5-ol (PubChem CID 70293614) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol.

Molecular Properties

Compound Name3-pentyl-4,5-dihydro-1H-pyrazol-5-ol
PubChem CID70293614
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-pentyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCCCCCC1=NNC(O)C1
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h8,10-11H,2-6H2,1H3
InChIKeyWWALKEFOSXVIAJ-UHFFFAOYSA-N
XLogP1.23
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol?
The IUPAC name of 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol (CID 70293614) is 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol.
What is the SMILES notation for 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol?
The canonical SMILES for 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol is CCCCCC1=NNC(O)C1.
What is the InChIKey of 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol?
The InChIKey is WWALKEFOSXVIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h8,10-11H,2-6H2,1H3.
What are the key properties of 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol?
3-pentyl-4,5-dihydro-1H-pyrazol-5-ol has a molecular weight of 156.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4,5-dihydro-1H-pyrazol-5-ol is sourced from PubChem (CID 70293614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).