3,3-dipentylpyrazole

C13H24N2 — CID 68635584

IUPAC3,3-dipentylpyrazole
SMILESCCCCCC1(CCCCC)C=CN=N1
InChIInChI=1S/C13H24N2/c1-3-5-7-9-13(10-8-6-4-2)11-12-14-15-13/h11-12H,3-10H2,1-2H3
InChIKeyAJHJASZIQCQCKM-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.87
Rot. Bonds8

About 3,3-dipentylpyrazole

3,3-dipentylpyrazole (PubChem CID 68635584) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,3-dipentylpyrazole.

Molecular Properties

Compound Name3,3-dipentylpyrazole
PubChem CID68635584
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,3-dipentylpyrazole
SMILESCCCCCC1(CCCCC)C=CN=N1
InChIInChI=1S/C13H24N2/c1-3-5-7-9-13(10-8-6-4-2)11-12-14-15-13/h11-12H,3-10H2,1-2H3
InChIKeyAJHJASZIQCQCKM-UHFFFAOYSA-N
XLogP4.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dibutylpyrazole
CID 154963182
3-butyl-3-methylpyrazole
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6-butyl-1-methyl-2,3,7-triazabicyclo[4.1.1]octa-2,4-diene
CID 134550897
3-ethyl-3-(2-methylpropyl)pyrazole
CID 142153004
(4-hexadecyltriazol-4-yl)methanamine;hydrobromide
CID 175545251
5,5-dihexyltetrazole
CID 69386804
5-methyl-5-pentyltetrazole
CID 69382844
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
1-hexyl-N-methylcyclopropan-1-amine
CID 142399349
3-decyl-3-ethylazetidine
CID 79451957
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
3-ethyl-3-octyldioxirane
CID 89239410

Frequently Asked Questions

What is the IUPAC name of 3,3-dipentylpyrazole?
The IUPAC name of 3,3-dipentylpyrazole (CID 68635584) is 3,3-dipentylpyrazole.
What is the SMILES notation for 3,3-dipentylpyrazole?
The canonical SMILES for 3,3-dipentylpyrazole is CCCCCC1(CCCCC)C=CN=N1.
What is the InChIKey of 3,3-dipentylpyrazole?
The InChIKey is AJHJASZIQCQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-7-9-13(10-8-6-4-2)11-12-14-15-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,3-dipentylpyrazole?
3,3-dipentylpyrazole has a molecular weight of 208.35 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipentylpyrazole is sourced from PubChem (CID 68635584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).