1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid

C14H9BrN2O2S — CID 43542791

IUPAC1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)n(-c2ccccc2Br)n1
InChIInChI=1S/C14H9BrN2O2S/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyMSGJSCKSBFIBMJ-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.06
Rot. Bonds3

About 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid

1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid (PubChem CID 43542791) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
PubChem CID43542791
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)n(-c2ccccc2Br)n1
InChIInChI=1S/C14H9BrN2O2S/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyMSGJSCKSBFIBMJ-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-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
methyl 1-(3-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43542649
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891
[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 119519370
3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
CID 146076048
(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610532
2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070
1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
CID 82362032
4-(3-ethoxycarbonyl-5-thiophen-2-ylpyrazol-1-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid
CID 173252420
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid (CID 43542791) is 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)n(-c2ccccc2Br)n1.
What is the InChIKey of 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The InChIKey is MSGJSCKSBFIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-8H,(H,18,19).
What are the key properties of 1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid?
1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-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-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 43542791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).