2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid

C16H11ClN2O2 — CID 107330966

IUPAC2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccnn2-c2ccccc2)ccc1Cl
InChIInChI=1S/C16H11ClN2O2/c17-14-7-6-11(10-13(14)16(20)21)15-8-9-18-19(15)12-4-2-1-3-5-12/h1-10H,(H,20,21)
InChIKeyZSQAURDQAJOMMM-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid

2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid (PubChem CID 107330966) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
PubChem CID107330966
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccnn2-c2ccccc2)ccc1Cl
InChIInChI=1S/C16H11ClN2O2/c17-14-7-6-11(10-13(14)16(20)21)15-8-9-18-19(15)12-4-2-1-3-5-12/h1-10H,(H,20,21)
InChIKeyZSQAURDQAJOMMM-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16773226
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3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
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2-methyl-5-(2-phenylpyrazol-3-yl)aniline
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(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
3-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
CID 16776531
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
CID 2765354
1-methyl-5-(2-phenylpyrazol-3-yl)pyrrole-2-carboxylic acid
CID 115049726
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
5-(3-methoxyphenyl)-1-phenylpyrazole
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2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid (CID 107330966) is 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid is O=C(O)c1cc(-c2ccnn2-c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid?
The InChIKey is ZSQAURDQAJOMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-14-7-6-11(10-13(14)16(20)21)15-8-9-18-19(15)12-4-2-1-3-5-12/h1-10H,(H,20,21).
What are the key properties of 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid?
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid has a molecular weight of 298.73 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 107330966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).