4-bromo-5-fluoro-1-(thian-4-yl)pyrazole

C8H10BrFN2S — CID 115049312

IUPAC4-bromo-5-fluoro-1-(thian-4-yl)pyrazole
SMILESFc1c(Br)cnn1C1CCSCC1
InChIInChI=1S/C8H10BrFN2S/c9-7-5-11-12(8(7)10)6-1-3-13-4-2-6/h5-6H,1-4H2
InChIKeyDNGCMJFAPMANIV-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.85
Rot. Bonds1

About 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole

4-bromo-5-fluoro-1-(thian-4-yl)pyrazole (PubChem CID 115049312) has the molecular formula C8H10BrFN2S and a molecular weight of 265.15 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-(thian-4-yl)pyrazole
PubChem CID115049312
Molecular FormulaC8H10BrFN2S
Molecular Weight265.15 g/mol
Exact Mass263.97
IUPAC Name4-bromo-5-fluoro-1-(thian-4-yl)pyrazole
SMILESFc1c(Br)cnn1C1CCSCC1
InChIInChI=1S/C8H10BrFN2S/c9-7-5-11-12(8(7)10)6-1-3-13-4-2-6/h5-6H,1-4H2
InChIKeyDNGCMJFAPMANIV-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(thian-4-yl)pyrazol-4-ol
CID 117231871
1-cyclopropyl-5-fluoro-4-iodopyrazole
CID 167721010
4-bromo-1-cyclopropylpyrazol-5-amine
CID 83382905
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
1-cyclopropyl-5-fluoropyrazol-4-amine
CID 115011395
5-methyl-1-(thian-4-yl)pyrazole
CID 84732484
1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine
CID 115040304
1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
CID 115013687
1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde
CID 115016107
1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride
CID 115042899
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
CID 115021653
1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride
CID 115049598

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole?
The IUPAC name of 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole (CID 115049312) is 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole.
What is the SMILES notation for 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole?
The canonical SMILES for 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole is Fc1c(Br)cnn1C1CCSCC1.
What is the InChIKey of 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole?
The InChIKey is DNGCMJFAPMANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2S/c9-7-5-11-12(8(7)10)6-1-3-13-4-2-6/h5-6H,1-4H2.
What are the key properties of 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole?
4-bromo-5-fluoro-1-(thian-4-yl)pyrazole has a molecular weight of 265.15 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-(thian-4-yl)pyrazole is sourced from PubChem (CID 115049312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).