3-bromo-1-(2-fluoroethyl)pyrazole

C5H6BrFN2 — CID 130675409

IUPAC3-bromo-1-(2-fluoroethyl)pyrazole
SMILESFCCn1ccc(Br)n1
InChIInChI=1S/C5H6BrFN2/c6-5-1-3-9(8-5)4-2-7/h1,3H,2,4H2
InChIKeyPPODKZKVEXATRM-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.62
Rot. Bonds2

About 3-bromo-1-(2-fluoroethyl)pyrazole

3-bromo-1-(2-fluoroethyl)pyrazole (PubChem CID 130675409) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 3-bromo-1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name3-bromo-1-(2-fluoroethyl)pyrazole
PubChem CID130675409
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name3-bromo-1-(2-fluoroethyl)pyrazole
SMILESFCCn1ccc(Br)n1
InChIInChI=1S/C5H6BrFN2/c6-5-1-3-9(8-5)4-2-7/h1,3H,2,4H2
InChIKeyPPODKZKVEXATRM-UHFFFAOYSA-N
XLogP1.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(2-bromoethyl)-1H-pyrazole
CID 642215
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
4-Bromo-1-vinyl-1H-pyrazole
CID 13498184
3-Bromo-1-methyl-1H-pyrazole
CID 14948637
1-(difluoromethyl)-1H-pyrazole
CID 5253348
2-(1H-pyrazol-1-yl)acetonitrile
CID 7017843
5-Fluoro-1-methyl-1H-pyrazole
CID 12475720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-fluoroethyl)pyrazole?
The IUPAC name of 3-bromo-1-(2-fluoroethyl)pyrazole (CID 130675409) is 3-bromo-1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 3-bromo-1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 3-bromo-1-(2-fluoroethyl)pyrazole is FCCn1ccc(Br)n1.
What is the InChIKey of 3-bromo-1-(2-fluoroethyl)pyrazole?
The InChIKey is PPODKZKVEXATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c6-5-1-3-9(8-5)4-2-7/h1,3H,2,4H2.
What are the key properties of 3-bromo-1-(2-fluoroethyl)pyrazole?
3-bromo-1-(2-fluoroethyl)pyrazole has a molecular weight of 193.02 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 130675409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).