1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

C14H9BrN2O2S — CID 43141347

IUPAC1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Br)cc2)nc1-c1cccs1
InChIInChI=1S/C14H9BrN2O2S/c15-9-3-5-10(6-4-9)17-8-11(14(18)19)13(16-17)12-2-1-7-20-12/h1-8H,(H,18,19)
InChIKeyPLOIFXQSKSFFNC-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.06
Rot. Bonds3

About 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 43141347) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID43141347
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Br)cc2)nc1-c1cccs1
InChIInChI=1S/C14H9BrN2O2S/c15-9-3-5-10(6-4-9)17-8-11(14(18)19)13(16-17)12-2-1-7-20-12/h1-8H,(H,18,19)
InChIKeyPLOIFXQSKSFFNC-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 2473254
1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 976497
1-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 42281966
1-(4-bromophenyl)-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 43324166
1-(4-Sulfamoylphenyl)-3-(2-thienyl)pyrazole-4-carboxylic acid
CID 52916547
1-Phenyl-3-(thiophen-3-yl)-1h-pyrazole-4-carboxylic acid
CID 55032666
Methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2322069
4-[(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzoic acid
CID 2311835
(Propan-2-ylideneamino) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 4622685
3-(5-bromothiophen-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 12073551
[1-(4-Bromophenyl)-3-methylpyrazol-4-yl]-thiophen-2-ylmethanone
CID 135027502
1-(2,4-Difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43141368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 43141347) is 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Br)cc2)nc1-c1cccs1.
What is the InChIKey of 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is PLOIFXQSKSFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-9-3-5-10(6-4-9)17-8-11(14(18)19)13(16-17)12-2-1-7-20-12/h1-8H,(H,18,19).
What are the key properties of 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 349.21 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43141347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).