1-pyrazol-1-ylpentan-1-one

C8H12N2O — CID 5147633

IUPAC1-pyrazol-1-ylpentan-1-one
SMILESCCCCC(=O)n1cccn1
InChIInChI=1S/C8H12N2O/c1-2-3-5-8(11)10-7-4-6-9-10/h4,6-7H,2-3,5H2,1H3
InChIKeyXGUSGMIYHILEBA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.71
Rot. Bonds3

About 1-pyrazol-1-ylpentan-1-one

1-pyrazol-1-ylpentan-1-one (PubChem CID 5147633) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-pyrazol-1-ylpentan-1-one.

Molecular Properties

Compound Name1-pyrazol-1-ylpentan-1-one
PubChem CID5147633
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-pyrazol-1-ylpentan-1-one
SMILESCCCCC(=O)n1cccn1
InChIInChI=1S/C8H12N2O/c1-2-3-5-8(11)10-7-4-6-9-10/h4,6-7H,2-3,5H2,1H3
InChIKeyXGUSGMIYHILEBA-UHFFFAOYSA-N
XLogP1.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pyrazol-1-ylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpentan-1-one?
The IUPAC name of 1-pyrazol-1-ylpentan-1-one (CID 5147633) is 1-pyrazol-1-ylpentan-1-one.
What is the SMILES notation for 1-pyrazol-1-ylpentan-1-one?
The canonical SMILES for 1-pyrazol-1-ylpentan-1-one is CCCCC(=O)n1cccn1.
What is the InChIKey of 1-pyrazol-1-ylpentan-1-one?
The InChIKey is XGUSGMIYHILEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-5-8(11)10-7-4-6-9-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-pyrazol-1-ylpentan-1-one?
1-pyrazol-1-ylpentan-1-one has a molecular weight of 152.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpentan-1-one is sourced from PubChem (CID 5147633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).