4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole

C11H14ClF3N2 — CID 66439251

IUPAC4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(CCl)cnn1C1CCCCC1
InChIInChI=1S/C11H14ClF3N2/c12-6-8-7-16-17(10(8)11(13,14)15)9-4-2-1-3-5-9/h7,9H,1-6H2
InChIKeyPUHOUOYCXBIFCG-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.15
Rot. Bonds2

About 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole

4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole (PubChem CID 66439251) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole
PubChem CID66439251
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(CCl)cnn1C1CCCCC1
InChIInChI=1S/C11H14ClF3N2/c12-6-8-7-16-17(10(8)11(13,14)15)9-4-2-1-3-5-9/h7,9H,1-6H2
InChIKeyPUHOUOYCXBIFCG-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole (CID 66439251) is 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole is FC(F)(F)c1c(CCl)cnn1C1CCCCC1.
What is the InChIKey of 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
The InChIKey is PUHOUOYCXBIFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c12-6-8-7-16-17(10(8)11(13,14)15)9-4-2-1-3-5-9/h7,9H,1-6H2.
What are the key properties of 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole?
4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole has a molecular weight of 266.69 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66439251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).