3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole

C8H7BrF2N4 — CID 166088123

IUPAC3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole
SMILESFC(F)n1cc(-n2ccc(CBr)n2)cn1
InChIInChI=1S/C8H7BrF2N4/c9-3-6-1-2-14(13-6)7-4-12-15(5-7)8(10)11/h1-2,4-5,8H,3H2
InChIKeyQQPALDOFSBZGQI-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.36
Rot. Bonds3

About 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole

3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole (PubChem CID 166088123) has the molecular formula C8H7BrF2N4 and a molecular weight of 277.07 g/mol. Its IUPAC name is 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole.

Molecular Properties

Compound Name3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole
PubChem CID166088123
Molecular FormulaC8H7BrF2N4
Molecular Weight277.07 g/mol
Exact Mass275.98
IUPAC Name3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole
SMILESFC(F)n1cc(-n2ccc(CBr)n2)cn1
InChIInChI=1S/C8H7BrF2N4/c9-3-6-1-2-14(13-6)7-4-12-15(5-7)8(10)11/h1-2,4-5,8H,3H2
InChIKeyQQPALDOFSBZGQI-UHFFFAOYSA-N
XLogP2.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole?
The IUPAC name of 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole (CID 166088123) is 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole.
What is the SMILES notation for 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole?
The canonical SMILES for 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole is FC(F)n1cc(-n2ccc(CBr)n2)cn1.
What is the InChIKey of 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole?
The InChIKey is QQPALDOFSBZGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N4/c9-3-6-1-2-14(13-6)7-4-12-15(5-7)8(10)11/h1-2,4-5,8H,3H2.
What are the key properties of 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole?
3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole has a molecular weight of 277.07 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole is sourced from PubChem (CID 166088123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).