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

C15H10BrN3O2 — CID 43542706

IUPAC1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(Br)c2)nc1-c1ccccn1
InChIInChI=1S/C15H10BrN3O2/c16-10-4-3-5-11(8-10)19-9-12(15(20)21)14(18-19)13-6-1-2-7-17-13/h1-9H,(H,20,21)
InChIKeyYRZMBMJNZIAJLX-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.39
Rot. Bonds3

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

1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 43542706) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID43542706
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(Br)c2)nc1-c1ccccn1
InChIInChI=1S/C15H10BrN3O2/c16-10-4-3-5-11(8-10)19-9-12(15(20)21)14(18-19)13-6-1-2-7-17-13/h1-9H,(H,20,21)
InChIKeyYRZMBMJNZIAJLX-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532
1-(3-bromophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815342
1-[4-benzoyl-1-(3-bromophenyl)pyrazol-3-yl]ethanone
CID 1214642
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazol-4-amine
CID 83216429
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
1-(3-bromophenyl)-4-oxopyrimidine-5-carboxylic acid
CID 115114488
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
2-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352920
1-(3-bromophenyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 174881028
3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287471
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
bis[3-(5-bromo-2-hydroxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 136656546

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid (CID 43542706) is 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2cccc(Br)c2)nc1-c1ccccn1.
What is the InChIKey of 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is YRZMBMJNZIAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-10-4-3-5-11(8-10)19-9-12(15(20)21)14(18-19)13-6-1-2-7-17-13/h1-9H,(H,20,21).
What are the key properties of 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 344.17 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43542706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).