4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole

C11H15BrF2N2 — CID 66439455

IUPAC4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
SMILESFC(F)c1c(CBr)cnn1C1CCCCC1
InChIInChI=1S/C11H15BrF2N2/c12-6-8-7-15-16(10(8)11(13)14)9-4-2-1-3-5-9/h7,9,11H,1-6H2
InChIKeyLSWNUOUFZBZXGJ-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.22
Rot. Bonds3

About 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole

4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole (PubChem CID 66439455) has the molecular formula C11H15BrF2N2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
PubChem CID66439455
Molecular FormulaC11H15BrF2N2
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
SMILESFC(F)c1c(CBr)cnn1C1CCCCC1
InChIInChI=1S/C11H15BrF2N2/c12-6-8-7-15-16(10(8)11(13)14)9-4-2-1-3-5-9/h7,9,11H,1-6H2
InChIKeyLSWNUOUFZBZXGJ-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.22
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-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole?
The IUPAC name of 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole (CID 66439455) is 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole?
The canonical SMILES for 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole is FC(F)c1c(CBr)cnn1C1CCCCC1.
What is the InChIKey of 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole?
The InChIKey is LSWNUOUFZBZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2/c12-6-8-7-15-16(10(8)11(13)14)9-4-2-1-3-5-9/h7,9,11H,1-6H2.
What are the key properties of 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole?
4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole has a molecular weight of 293.15 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole is sourced from PubChem (CID 66439455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).