4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole

C11H7BrClF3N2 — CID 134202483

IUPAC4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole
SMILESFc1ccc(-c2nn(CC(F)F)cc2Br)cc1Cl
InChIInChI=1S/C11H7BrClF3N2/c12-7-4-18(5-10(15)16)17-11(7)6-1-2-9(14)8(13)3-6/h1-4,10H,5H2
InChIKeyQQQMEMFGPDCFSR-UHFFFAOYSA-N
MW339.54 g/mol
LogP4.37
Rot. Bonds3

About 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole

4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole (PubChem CID 134202483) has the molecular formula C11H7BrClF3N2 and a molecular weight of 339.54 g/mol. Its IUPAC name is 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole
PubChem CID134202483
Molecular FormulaC11H7BrClF3N2
Molecular Weight339.54 g/mol
Exact Mass337.94
IUPAC Name4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole
SMILESFc1ccc(-c2nn(CC(F)F)cc2Br)cc1Cl
InChIInChI=1S/C11H7BrClF3N2/c12-7-4-18(5-10(15)16)17-11(7)6-1-2-9(14)8(13)3-6/h1-4,10H,5H2
InChIKeyQQQMEMFGPDCFSR-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(3-chloro-4-fluorophenyl)-1-(isocyanomethyl)pyrazole
CID 153434206
3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145825
6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134202619
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine
CID 91354372
2-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609484
1-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]-N-methylmethanamine
CID 84609488
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 65317657
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270717
2-[3-(3-chloro-4-fluorophenyl)-4,5-dimethylpyrazol-1-yl]butan-1-ol
CID 123387208

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole?
The IUPAC name of 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole (CID 134202483) is 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole.
What is the SMILES notation for 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole?
The canonical SMILES for 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole is Fc1ccc(-c2nn(CC(F)F)cc2Br)cc1Cl.
What is the InChIKey of 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole?
The InChIKey is QQQMEMFGPDCFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2/c12-7-4-18(5-10(15)16)17-11(7)6-1-2-9(14)8(13)3-6/h1-4,10H,5H2.
What are the key properties of 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole?
4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole has a molecular weight of 339.54 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazole is sourced from PubChem (CID 134202483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).