2,4-dipentyl-1,3-dihydropyrazole

C13H26N2 — CID 69325833

IUPAC2,4-dipentyl-1,3-dihydropyrazole
SMILESCCCCCC1=CNN(CCCCC)C1
InChIInChI=1S/C13H26N2/c1-3-5-7-9-13-11-14-15(12-13)10-8-6-4-2/h11,14H,3-10,12H2,1-2H3
InChIKeyLMTMVVHTUTYVJJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.46
Rot. Bonds8

About 2,4-dipentyl-1,3-dihydropyrazole

2,4-dipentyl-1,3-dihydropyrazole (PubChem CID 69325833) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,4-dipentyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2,4-dipentyl-1,3-dihydropyrazole
PubChem CID69325833
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2,4-dipentyl-1,3-dihydropyrazole
SMILESCCCCCC1=CNN(CCCCC)C1
InChIInChI=1S/C13H26N2/c1-3-5-7-9-13-11-14-15(12-13)10-8-6-4-2/h11,14H,3-10,12H2,1-2H3
InChIKeyLMTMVVHTUTYVJJ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dipentyl-1,3-dihydropyrazole?
The IUPAC name of 2,4-dipentyl-1,3-dihydropyrazole (CID 69325833) is 2,4-dipentyl-1,3-dihydropyrazole.
What is the SMILES notation for 2,4-dipentyl-1,3-dihydropyrazole?
The canonical SMILES for 2,4-dipentyl-1,3-dihydropyrazole is CCCCCC1=CNN(CCCCC)C1.
What is the InChIKey of 2,4-dipentyl-1,3-dihydropyrazole?
The InChIKey is LMTMVVHTUTYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-5-7-9-13-11-14-15(12-13)10-8-6-4-2/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 2,4-dipentyl-1,3-dihydropyrazole?
2,4-dipentyl-1,3-dihydropyrazole has a molecular weight of 210.36 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipentyl-1,3-dihydropyrazole is sourced from PubChem (CID 69325833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).