5-methyl-2,4-dipentyl-1H-pyrazol-3-one

C14H26N2O — CID 70541585

IUPAC5-methyl-2,4-dipentyl-1H-pyrazol-3-one
SMILESCCCCCc1c(C)[nH]n(CCCCC)c1=O
InChIInChI=1S/C14H26N2O/c1-4-6-8-10-13-12(3)15-16(14(13)17)11-9-7-5-2/h15H,4-11H2,1-3H3
InChIKeyVQSCZFSVZPSVSR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.41
Rot. Bonds8

About 5-methyl-2,4-dipentyl-1H-pyrazol-3-one

5-methyl-2,4-dipentyl-1H-pyrazol-3-one (PubChem CID 70541585) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-methyl-2,4-dipentyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2,4-dipentyl-1H-pyrazol-3-one
PubChem CID70541585
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-methyl-2,4-dipentyl-1H-pyrazol-3-one
SMILESCCCCCc1c(C)[nH]n(CCCCC)c1=O
InChIInChI=1S/C14H26N2O/c1-4-6-8-10-13-12(3)15-16(14(13)17)11-9-7-5-2/h15H,4-11H2,1-3H3
InChIKeyVQSCZFSVZPSVSR-UHFFFAOYSA-N
XLogP3.41
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-2,4-dipentyl-1H-pyrazol-3-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 5-methyl-2,4-dipentyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2,4-dipentyl-1H-pyrazol-3-one (CID 70541585) is 5-methyl-2,4-dipentyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2,4-dipentyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2,4-dipentyl-1H-pyrazol-3-one is CCCCCc1c(C)[nH]n(CCCCC)c1=O.
What is the InChIKey of 5-methyl-2,4-dipentyl-1H-pyrazol-3-one?
The InChIKey is VQSCZFSVZPSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-8-10-13-12(3)15-16(14(13)17)11-9-7-5-2/h15H,4-11H2,1-3H3.
What are the key properties of 5-methyl-2,4-dipentyl-1H-pyrazol-3-one?
5-methyl-2,4-dipentyl-1H-pyrazol-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dipentyl-1H-pyrazol-3-one is sourced from PubChem (CID 70541585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).