5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole

C10H11F3N2 — CID 142636948

IUPAC5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(C2CC=CCC2)[nH]n1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,14,15)
InChIKeyITAXJYPOBNDKLS-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.25
Rot. Bonds1

About 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole

5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 142636948) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID142636948
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(C2CC=CCC2)[nH]n1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,14,15)
InChIKeyITAXJYPOBNDKLS-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole (CID 142636948) is 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(C2CC=CCC2)[nH]n1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ITAXJYPOBNDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,14,15).
What are the key properties of 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole?
5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 216.21 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 142636948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).