5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid

C15H12N2O3 — CID 134149170

IUPAC5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(-c2ccc3[nH]nc(C(=O)O)c3c2)cc1
InChIInChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyBBTNJRYVRKDPQM-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.94
Rot. Bonds3

About 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid

5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid (PubChem CID 134149170) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
PubChem CID134149170
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
SMILESCOc1ccc(-c2ccc3[nH]nc(C(=O)O)c3c2)cc1
InChIInChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyBBTNJRYVRKDPQM-UHFFFAOYSA-N
XLogP2.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid (CID 134149170) is 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid is COc1ccc(-c2ccc3[nH]nc(C(=O)O)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
The InChIKey is BBTNJRYVRKDPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid?
5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 134149170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).