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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Related Compounds

3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1399024
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 1243311
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
2-phenoxyethyl 1H-indazole-3-carboxylate
CID 2088069
(E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-1H-indazol-5-yl]-but-2-enoic acid
CID 10112018
5-Methyl-4-(4-phenoxybenzyl)-1H-pyrazole-3-carboxylic acid
CID 71455286
6-Chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxylic acid
CID 86698790
7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
CID 3242152
(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2126218
(6,7-dimethyl-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
CID 2448632
2-(2,6-dimethylphenoxy)ethyl 1H-indazole-3-carboxylate
CID 2547949

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).