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

C9H10BrF3N2 — CID 116862027

IUPAC4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C2CCCC2)c1Br
InChIInChI=1S/C9H10BrF3N2/c10-6-7(5-3-1-2-4-5)14-15-8(6)9(11,12)13/h5H,1-4H2,(H,14,15)
InChIKeyAZZNBVJYIJMUMY-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.85
Rot. Bonds1

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

4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 116862027) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID116862027
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C2CCCC2)c1Br
InChIInChI=1S/C9H10BrF3N2/c10-6-7(5-3-1-2-4-5)14-15-8(6)9(11,12)13/h5H,1-4H2,(H,14,15)
InChIKeyAZZNBVJYIJMUMY-UHFFFAOYSA-N
XLogP3.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-3-(heptafluoropropyl)-5-methyl-1H-pyrazole
CID 12770299
4-bromo-3,5-diethyl-1H-pyrazole
CID 21536679
4-bromo-5-cyclopentyl-1H-pyrazole
CID 62633718
3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole
CID 42643488
3-(Trifluoromethyl)-4,5,6,7,8,9-hexahydro-2H-cyclooctapyrazole
CID 42647092
5-methyl-4-propyl-3-(trifluoromethyl)-1H-pyrazole
CID 21618541
4-bromo-5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 51358344
5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
CID 57071741
4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 118153106
5-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 118271254
3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole
CID 118271840
4-Bromo-3-cyclopropyl-5-(trifluoromethyl)-1H-pyrazole
CID 118798443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole (CID 116862027) is 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1n[nH]c(C2CCCC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is AZZNBVJYIJMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c10-6-7(5-3-1-2-4-5)14-15-8(6)9(11,12)13/h5H,1-4H2,(H,14,15).
What are the key properties of 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole?
4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 283.09 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 116862027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).