2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid

C17H16N2O2 — CID 3067331

IUPAC2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C17H16N2O2/c1-17(2,16(20)21)13-7-9-14(10-8-13)19-11-12-5-3-4-6-15(12)18-19/h3-11H,1-2H3,(H,20,21)
InChIKeyQMPDHRCWFVSVRW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid

2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid (PubChem CID 3067331) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid
PubChem CID3067331
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C17H16N2O2/c1-17(2,16(20)21)13-7-9-14(10-8-13)19-11-12-5-3-4-6-15(12)18-19/h3-11H,1-2H3,(H,20,21)
InChIKeyQMPDHRCWFVSVRW-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid
CID 10090048
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10452166
2-[1-Phenyl-3-[4-(2-phenylethynyl)phenyl]pyrazol-4-yl]acetic acid
CID 71458972
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylindazol-5-yl]acetic acid
CID 118715119
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137648938
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733
3,4-diphenyl-1H-pyrazole-1-octanoic acid
CID 15725733
2-(5-Methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid
CID 67607241
9-(3,4-Diphenylpyrazol-1-yl)nonanoic acid;hydrate
CID 67794220
2-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
CID 60152008

Frequently Asked Questions

What is the IUPAC name of 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid (CID 3067331) is 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-n2cc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid?
The InChIKey is QMPDHRCWFVSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-17(2,16(20)21)13-7-9-14(10-8-13)19-11-12-5-3-4-6-15(12)18-19/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid?
2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid has a molecular weight of 280.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 3067331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).