2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole

C10H17F3N2 — CID 162569405

IUPAC2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCCCCCCN1CCC(C(F)(F)F)=N1
InChIInChI=1S/C10H17F3N2/c1-2-3-4-5-7-15-8-6-9(14-15)10(11,12)13/h2-8H2,1H3
InChIKeyAXYVADCSYGWYLE-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.19
Rot. Bonds5

About 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole

2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 162569405) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID162569405
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCCCCCCN1CCC(C(F)(F)F)=N1
InChIInChI=1S/C10H17F3N2/c1-2-3-4-5-7-15-8-6-9(14-15)10(11,12)13/h2-8H2,1H3
InChIKeyAXYVADCSYGWYLE-UHFFFAOYSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.19
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

2,5-dibutyl-3,4-dihydropyrazole
CID 19604013
1-octyl-4,5-dihydrotriazole
CID 91256370
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
2-methylidene-1-nonylpyrrolidine
CID 70210485
5-ethyl-2-propyl-3,4-dihydropyrazole
CID 90808940
1-pentadecylpiperidin-4-one
CID 10267366
1-pentyl-4-(trifluoromethyl)pyrazole
CID 173052071
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
1,3-dioctylimidazolidin-2-one
CID 19987667

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole (CID 162569405) is 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole is CCCCCCN1CCC(C(F)(F)F)=N1.
What is the InChIKey of 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is AXYVADCSYGWYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-2-3-4-5-7-15-8-6-9(14-15)10(11,12)13/h2-8H2,1H3.
What are the key properties of 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 222.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 162569405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).