3,5-dipentyl-2,3-dihydro-1H-pyrazole

C13H26N2 — CID 69409283

IUPAC3,5-dipentyl-2,3-dihydro-1H-pyrazole
SMILESCCCCCC1=CC(CCCCC)NN1
InChIInChI=1S/C13H26N2/c1-3-5-7-9-12-11-13(15-14-12)10-8-6-4-2/h11-12,14-15H,3-10H2,1-2H3
InChIKeyVOEWFHHGBWEHBT-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.51
Rot. Bonds8

About 3,5-dipentyl-2,3-dihydro-1H-pyrazole

3,5-dipentyl-2,3-dihydro-1H-pyrazole (PubChem CID 69409283) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3,5-dipentyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,5-dipentyl-2,3-dihydro-1H-pyrazole
PubChem CID69409283
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3,5-dipentyl-2,3-dihydro-1H-pyrazole
SMILESCCCCCC1=CC(CCCCC)NN1
InChIInChI=1S/C13H26N2/c1-3-5-7-9-12-11-13(15-14-12)10-8-6-4-2/h11-12,14-15H,3-10H2,1-2H3
InChIKeyVOEWFHHGBWEHBT-UHFFFAOYSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,5-dipentyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3,5-dipentyl-2,3-dihydro-1H-pyrazole (CID 69409283) is 3,5-dipentyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3,5-dipentyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3,5-dipentyl-2,3-dihydro-1H-pyrazole is CCCCCC1=CC(CCCCC)NN1.
What is the InChIKey of 3,5-dipentyl-2,3-dihydro-1H-pyrazole?
The InChIKey is VOEWFHHGBWEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-5-7-9-12-11-13(15-14-12)10-8-6-4-2/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of 3,5-dipentyl-2,3-dihydro-1H-pyrazole?
3,5-dipentyl-2,3-dihydro-1H-pyrazole has a molecular weight of 210.36 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 69409283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).