5-pentyl-1,2-dihydropyrazol-3-one

C8H14N2O — CID 23249610

IUPAC5-pentyl-1,2-dihydropyrazol-3-one
SMILESCCCCCc1cc(=O)[nH][nH]1
InChIInChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyNTYRFIMFFTYLPI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds4

About 5-pentyl-1,2-dihydropyrazol-3-one

5-pentyl-1,2-dihydropyrazol-3-one (PubChem CID 23249610) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-pentyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-pentyl-1,2-dihydropyrazol-3-one
PubChem CID23249610
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-pentyl-1,2-dihydropyrazol-3-one
SMILESCCCCCc1cc(=O)[nH][nH]1
InChIInChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyNTYRFIMFFTYLPI-UHFFFAOYSA-N
XLogP1.44
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 5-pentyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-pentyl-1,2-dihydropyrazol-3-one (CID 23249610) is 5-pentyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-pentyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-pentyl-1,2-dihydropyrazol-3-one is CCCCCc1cc(=O)[nH][nH]1.
What is the InChIKey of 5-pentyl-1,2-dihydropyrazol-3-one?
The InChIKey is NTYRFIMFFTYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h6H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of 5-pentyl-1,2-dihydropyrazol-3-one?
5-pentyl-1,2-dihydropyrazol-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 23249610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).