azane;2,5-dipentyl-1,5-dihydropyrazole

C13H29N3 — CID 174530275

IUPACazane;2,5-dipentyl-1,5-dihydropyrazole
SMILESCCCCCC1C=CN(CCCCC)N1.N
InChIInChI=1S/C13H26N2.H3N/c1-3-5-7-9-13-10-12-15(14-13)11-8-6-4-2;/h10,12-14H,3-9,11H2,1-2H3;1H3
InChIKeyZZXYPZPBZOSISB-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.62
Rot. Bonds8

About azane;2,5-dipentyl-1,5-dihydropyrazole

azane;2,5-dipentyl-1,5-dihydropyrazole (PubChem CID 174530275) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is azane;2,5-dipentyl-1,5-dihydropyrazole.

Molecular Properties

Compound Nameazane;2,5-dipentyl-1,5-dihydropyrazole
PubChem CID174530275
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Nameazane;2,5-dipentyl-1,5-dihydropyrazole
SMILESCCCCCC1C=CN(CCCCC)N1.N
InChIInChI=1S/C13H26N2.H3N/c1-3-5-7-9-13-10-12-15(14-13)11-8-6-4-2;/h10,12-14H,3-9,11H2,1-2H3;1H3
InChIKeyZZXYPZPBZOSISB-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dipentyl-2H-triazole
CID 67465157
1-dodecyl-2,3-dioctadecyl-2H-imidazole
CID 69396437
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035
1-dodecyl-2-hexyl-3-nonadecyl-2H-imidazole
CID 69390490
1-nonadecyl-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
CID 69393336

Frequently Asked Questions

What is the IUPAC name of azane;2,5-dipentyl-1,5-dihydropyrazole?
The IUPAC name of azane;2,5-dipentyl-1,5-dihydropyrazole (CID 174530275) is azane;2,5-dipentyl-1,5-dihydropyrazole.
What is the SMILES notation for azane;2,5-dipentyl-1,5-dihydropyrazole?
The canonical SMILES for azane;2,5-dipentyl-1,5-dihydropyrazole is CCCCCC1C=CN(CCCCC)N1.N.
What is the InChIKey of azane;2,5-dipentyl-1,5-dihydropyrazole?
The InChIKey is ZZXYPZPBZOSISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.H3N/c1-3-5-7-9-13-10-12-15(14-13)11-8-6-4-2;/h10,12-14H,3-9,11H2,1-2H3;1H3.
What are the key properties of azane;2,5-dipentyl-1,5-dihydropyrazole?
azane;2,5-dipentyl-1,5-dihydropyrazole has a molecular weight of 227.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,5-dipentyl-1,5-dihydropyrazole is sourced from PubChem (CID 174530275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).