2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid

C16H12BrN3O2 — CID 138593461

IUPAC2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Br)cc2)nn1-c1ccccn1
InChIInChI=1S/C16H12BrN3O2/c17-12-6-4-11(5-7-12)14-9-13(10-16(21)22)20(19-14)15-3-1-2-8-18-15/h1-9H,10H2,(H,21,22)
InChIKeyVCTDZHOQTYBABY-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.32
Rot. Bonds4

About 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid

2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid (PubChem CID 138593461) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
PubChem CID138593461
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Br)cc2)nn1-c1ccccn1
InChIInChI=1S/C16H12BrN3O2/c17-12-6-4-11(5-7-12)14-9-13(10-16(21)22)20(19-14)15-3-1-2-8-18-15/h1-9H,10H2,(H,21,22)
InChIKeyVCTDZHOQTYBABY-UHFFFAOYSA-N
XLogP3.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
CID 57160106
3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
bis[2-methyl-1-[3-(4-phenyl-3-phenylmethoxyphenyl)-1-pyridin-2-ylpyrazol-5-yl]propan-2-yl] carbonate
CID 142706703
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136
3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
CID 155809929
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71825211
5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid
CID 71211731
acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine
CID 176658957
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
CID 1108823
4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337
2-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)sulfanylacetic acid
CID 62409897
3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide
CID 101494298

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid (CID 138593461) is 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid is O=C(O)Cc1cc(-c2ccc(Br)cc2)nn1-c1ccccn1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid?
The InChIKey is VCTDZHOQTYBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-12-6-4-11(5-7-12)14-9-13(10-16(21)22)20(19-14)15-3-1-2-8-18-15/h1-9H,10H2,(H,21,22).
What are the key properties of 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid?
2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid has a molecular weight of 358.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid is sourced from PubChem (CID 138593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).