4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole

C10H12ClF3N2 — CID 121213191

IUPAC4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C2CCCC2)c1CCl
InChIInChI=1S/C10H12ClF3N2/c11-5-7-8(6-3-1-2-4-6)15-16-9(7)10(12,13)14/h6H,1-5H2,(H,15,16)
InChIKeyPPLSJALCHPCRKK-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.82
Rot. Bonds2

About 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole

4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 121213191) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID121213191
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C2CCCC2)c1CCl
InChIInChI=1S/C10H12ClF3N2/c11-5-7-8(6-3-1-2-4-6)15-16-9(7)10(12,13)14/h6H,1-5H2,(H,15,16)
InChIKeyPPLSJALCHPCRKK-UHFFFAOYSA-N
XLogP3.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole (CID 121213191) is 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1n[nH]c(C2CCCC2)c1CCl.
What is the InChIKey of 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PPLSJALCHPCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c11-5-7-8(6-3-1-2-4-6)15-16-9(7)10(12,13)14/h6H,1-5H2,(H,15,16).
What are the key properties of 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 252.67 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 121213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).