1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid

C14H8BrClN2O2S — CID 43542847

IUPAC1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2Br)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H8BrClN2O2S/c15-9-3-1-2-4-10(9)18-7-8(14(19)20)13(17-18)11-5-6-12(16)21-11/h1-7H,(H,19,20)
InChIKeyCXEGRTPNJWACKP-UHFFFAOYSA-N
MW383.65 g/mol
LogP4.71
Rot. Bonds3

About 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid

1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid (PubChem CID 43542847) has the molecular formula C14H8BrClN2O2S and a molecular weight of 383.65 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
PubChem CID43542847
Molecular FormulaC14H8BrClN2O2S
Molecular Weight383.65 g/mol
Exact Mass381.92
IUPAC Name1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2Br)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H8BrClN2O2S/c15-9-3-1-2-4-10(9)18-7-8(14(19)20)13(17-18)11-5-6-12(16)21-11/h1-7H,(H,19,20)
InChIKeyCXEGRTPNJWACKP-UHFFFAOYSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.65
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 43439149
3-(4-bromothiophen-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 107354898
3-(4-bromothiophen-2-yl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 107354900
3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324323
1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
CID 43324362
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856
3-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 142738851
1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 4503814
1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
CID 114082882

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid (CID 43542847) is 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2Br)nc1-c1ccc(Cl)s1.
What is the InChIKey of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is CXEGRTPNJWACKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2S/c15-9-3-1-2-4-10(9)18-7-8(14(19)20)13(17-18)11-5-6-12(16)21-11/h1-7H,(H,19,20).
What are the key properties of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid?
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 383.65 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43542847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).