2-pentyl-1H-pyrazol-5-one

C8H14N2O — CID 58951372

IUPAC2-pentyl-1H-pyrazol-5-one
SMILESCCCCCn1ccc(=O)[nH]1
InChIInChI=1S/C8H14N2O/c1-2-3-4-6-10-7-5-8(11)9-10/h5,7H,2-4,6H2,1H3,(H,9,11)
InChIKeyZMVUPGJZKHFFSM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.37
Rot. Bonds4

About 2-pentyl-1H-pyrazol-5-one

2-pentyl-1H-pyrazol-5-one (PubChem CID 58951372) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-pentyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-pentyl-1H-pyrazol-5-one
PubChem CID58951372
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-pentyl-1H-pyrazol-5-one
SMILESCCCCCn1ccc(=O)[nH]1
InChIInChI=1S/C8H14N2O/c1-2-3-4-6-10-7-5-8(11)9-10/h5,7H,2-4,6H2,1H3,(H,9,11)
InChIKeyZMVUPGJZKHFFSM-UHFFFAOYSA-N
XLogP1.37
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-pyrazol-3-ol
CID 11423563
1-ethyl-1H-pyrazol-3-ol
CID 10931394
1-tert-butyl-1H-pyrazol-3-ol
CID 57898897
1-Isopropyl-1H-pyrazol-3-ol
CID 22918616
3H-Pyrazol-3-one, 1-(5-chloropentyl)-1,2-dihydro-
CID 12226064
1-butyl-1H-pyrazol-5-ol
CID 10176180
1-cyclohexyl-1H-pyrazol-3-ol
CID 20464003
2-ethenyl-1H-pyrazol-5-one
CID 21656122
1-Butyl-1,2-dihydro-3H-pyrazol-3-one
CID 22918622
ethane;2-methyl-1H-pyrazol-5-one
CID 53788422
2-pentyl-1H-pyrazol-3-one
CID 66714758
2-(pentylamino)-1H-pyrazol-3-one
CID 67934212

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-pyrazol-5-one?
The IUPAC name of 2-pentyl-1H-pyrazol-5-one (CID 58951372) is 2-pentyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-pentyl-1H-pyrazol-5-one?
The canonical SMILES for 2-pentyl-1H-pyrazol-5-one is CCCCCn1ccc(=O)[nH]1.
What is the InChIKey of 2-pentyl-1H-pyrazol-5-one?
The InChIKey is ZMVUPGJZKHFFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-6-10-7-5-8(11)9-10/h5,7H,2-4,6H2,1H3,(H,9,11).
What are the key properties of 2-pentyl-1H-pyrazol-5-one?
2-pentyl-1H-pyrazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-pyrazol-5-one is sourced from PubChem (CID 58951372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).