1-benzylindazole-3-carboxylic acid

C15H12N2O2 — CID 10562759

IUPAC1-benzylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyCDRCOZFGMPTGBL-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.78
Rot. Bonds3

About 1-benzylindazole-3-carboxylic acid

1-benzylindazole-3-carboxylic acid (PubChem CID 10562759) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-benzylindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-benzylindazole-3-carboxylic acid
PubChem CID10562759
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-benzylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyCDRCOZFGMPTGBL-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Benzyl-3-(4'-ethoxycarbonylphenyl)indazole
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1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
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3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
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Mfubinac
CID 58124744
Apinac
CID 129532609
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
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1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
CID 2744515

Frequently Asked Questions

What is the IUPAC name of 1-benzylindazole-3-carboxylic acid?
The IUPAC name of 1-benzylindazole-3-carboxylic acid (CID 10562759) is 1-benzylindazole-3-carboxylic acid.
What is the SMILES notation for 1-benzylindazole-3-carboxylic acid?
The canonical SMILES for 1-benzylindazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzylindazole-3-carboxylic acid?
The InChIKey is CDRCOZFGMPTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 1-benzylindazole-3-carboxylic acid?
1-benzylindazole-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindazole-3-carboxylic acid is sourced from PubChem (CID 10562759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).