4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole

C11H7BrCl2F2N2 — CID 66437705

IUPAC4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole
SMILESFC(F)c1c(CBr)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7BrCl2F2N2/c12-4-6-5-17-18(10(6)11(15)16)9-2-1-7(13)3-8(9)14/h1-3,5,11H,4H2
InChIKeyDHHJYQHNOIQQAQ-UHFFFAOYSA-N
MW356.00 g/mol
LogP5.01
Rot. Bonds3

About 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole

4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole (PubChem CID 66437705) has the molecular formula C11H7BrCl2F2N2 and a molecular weight of 356.00 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole
PubChem CID66437705
Molecular FormulaC11H7BrCl2F2N2
Molecular Weight356.00 g/mol
Exact Mass353.91
IUPAC Name4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole
SMILESFC(F)c1c(CBr)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7BrCl2F2N2/c12-4-6-5-17-18(10(6)11(15)16)9-2-1-7(13)3-8(9)14/h1-3,5,11H,4H2
InChIKeyDHHJYQHNOIQQAQ-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.00
LogP ≤ 55.01
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-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole?
The IUPAC name of 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole (CID 66437705) is 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole?
The canonical SMILES for 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole is FC(F)c1c(CBr)cnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole?
The InChIKey is DHHJYQHNOIQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2F2N2/c12-4-6-5-17-18(10(6)11(15)16)9-2-1-7(13)3-8(9)14/h1-3,5,11H,4H2.
What are the key properties of 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole?
4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole has a molecular weight of 356.00 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole is sourced from PubChem (CID 66437705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).