4-bromo-1-(4-propylphenyl)sulfonylpyrazole

C12H13BrN2O2S — CID 22200722

IUPAC4-bromo-1-(4-propylphenyl)sulfonylpyrazole
SMILESCCCc1ccc(S(=O)(=O)n2cc(Br)cn2)cc1
InChIInChI=1S/C12H13BrN2O2S/c1-2-3-10-4-6-12(7-5-10)18(16,17)15-9-11(13)8-14-15/h4-9H,2-3H2,1H3
InChIKeyMEWRGBGRSFGYQV-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.84
Rot. Bonds4

About 4-bromo-1-(4-propylphenyl)sulfonylpyrazole

4-bromo-1-(4-propylphenyl)sulfonylpyrazole (PubChem CID 22200722) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 4-bromo-1-(4-propylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-propylphenyl)sulfonylpyrazole
PubChem CID22200722
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name4-bromo-1-(4-propylphenyl)sulfonylpyrazole
SMILESCCCc1ccc(S(=O)(=O)n2cc(Br)cn2)cc1
InChIInChI=1S/C12H13BrN2O2S/c1-2-3-10-4-6-12(7-5-10)18(16,17)15-9-11(13)8-14-15/h4-9H,2-3H2,1H3
InChIKeyMEWRGBGRSFGYQV-UHFFFAOYSA-N
XLogP2.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 320750
4-Bromo-1-(phenylsulfonyl)pyrazole
CID 6468394
1-Benzenesulfonyl-4-bromo-5-trimethylsilanyl-1h-pyrazole
CID 5324096
4-iodo-1-tosyl-1H-pyrazole
CID 14041590
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
1-[(4-Ethylphenyl)sulfonyl]-3-methylpyrazole
CID 42588626
N-tosyl-4-phenylpyrazole
CID 11254999
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
5-iodo-1-tosyl-1H-pyrazole
CID 15932794
4-(3,5-Difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 67459988

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-propylphenyl)sulfonylpyrazole?
The IUPAC name of 4-bromo-1-(4-propylphenyl)sulfonylpyrazole (CID 22200722) is 4-bromo-1-(4-propylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-bromo-1-(4-propylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-bromo-1-(4-propylphenyl)sulfonylpyrazole is CCCc1ccc(S(=O)(=O)n2cc(Br)cn2)cc1.
What is the InChIKey of 4-bromo-1-(4-propylphenyl)sulfonylpyrazole?
The InChIKey is MEWRGBGRSFGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-2-3-10-4-6-12(7-5-10)18(16,17)15-9-11(13)8-14-15/h4-9H,2-3H2,1H3.
What are the key properties of 4-bromo-1-(4-propylphenyl)sulfonylpyrazole?
4-bromo-1-(4-propylphenyl)sulfonylpyrazole has a molecular weight of 329.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-propylphenyl)sulfonylpyrazole is sourced from PubChem (CID 22200722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).