5-bromo-1-(3,3-difluoropropyl)pyrazole

C6H7BrF2N2 — CID 84689526

IUPAC5-bromo-1-(3,3-difluoropropyl)pyrazole
SMILESFC(F)CCn1nccc1Br
InChIInChI=1S/C6H7BrF2N2/c7-5-1-3-10-11(5)4-2-6(8)9/h1,3,6H,2,4H2
InChIKeyMRHBTEYFNLVMSG-UHFFFAOYSA-N
MW225.04 g/mol
LogP2.30
Rot. Bonds3

About 5-bromo-1-(3,3-difluoropropyl)pyrazole

5-bromo-1-(3,3-difluoropropyl)pyrazole (PubChem CID 84689526) has the molecular formula C6H7BrF2N2 and a molecular weight of 225.04 g/mol. Its IUPAC name is 5-bromo-1-(3,3-difluoropropyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(3,3-difluoropropyl)pyrazole
PubChem CID84689526
Molecular FormulaC6H7BrF2N2
Molecular Weight225.04 g/mol
Exact Mass223.98
IUPAC Name5-bromo-1-(3,3-difluoropropyl)pyrazole
SMILESFC(F)CCn1nccc1Br
InChIInChI=1S/C6H7BrF2N2/c7-5-1-3-10-11(5)4-2-6(8)9/h1,3,6H,2,4H2
InChIKeyMRHBTEYFNLVMSG-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoropropyl)-5-propan-2-yl-1,2,4-triazole
CID 166500003
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
methyl 4-(5-bromopyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66988829
5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole
CID 166560262
5-bromo-1-(1-ethylazetidin-3-yl)pyrazole
CID 105487452
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 66424235
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204
2-(3,3-difluoropropyl)triazol-4-amine
CID 84651323
[2-(3,3-diethoxypropyl)pyrazol-3-yl]boronic acid
CID 11379500
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,3-difluoropropyl)pyrazole?
The IUPAC name of 5-bromo-1-(3,3-difluoropropyl)pyrazole (CID 84689526) is 5-bromo-1-(3,3-difluoropropyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(3,3-difluoropropyl)pyrazole?
The canonical SMILES for 5-bromo-1-(3,3-difluoropropyl)pyrazole is FC(F)CCn1nccc1Br.
What is the InChIKey of 5-bromo-1-(3,3-difluoropropyl)pyrazole?
The InChIKey is MRHBTEYFNLVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2/c7-5-1-3-10-11(5)4-2-6(8)9/h1,3,6H,2,4H2.
What are the key properties of 5-bromo-1-(3,3-difluoropropyl)pyrazole?
5-bromo-1-(3,3-difluoropropyl)pyrazole has a molecular weight of 225.04 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,3-difluoropropyl)pyrazole is sourced from PubChem (CID 84689526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).