2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid

C16H14N2O2 — CID 68614458

IUPAC2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid
SMILESCc1cccc(-c2cccc3c(C(=O)O)n(C)nc23)c1
InChIInChI=1S/C16H14N2O2/c1-10-5-3-6-11(9-10)12-7-4-8-13-14(12)17-18(2)15(13)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeySLZGYDHWMAPFFH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.25
Rot. Bonds2

About 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid

2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid (PubChem CID 68614458) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid
PubChem CID68614458
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid
SMILESCc1cccc(-c2cccc3c(C(=O)O)n(C)nc23)c1
InChIInChI=1S/C16H14N2O2/c1-10-5-3-6-11(9-10)12-7-4-8-13-14(12)17-18(2)15(13)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeySLZGYDHWMAPFFH-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(3,5-dimethylphenyl)-2-methylindazol-3-yl]acetic acid
CID 175247176
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate
CID 59702280
3-(3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61308187
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid
CID 105423795
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730
1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
CID 175686721
3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 88910937
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
2-(3-methylphenyl)phenol
CID 11206198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid?
The IUPAC name of 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid (CID 68614458) is 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid?
The canonical SMILES for 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid is Cc1cccc(-c2cccc3c(C(=O)O)n(C)nc23)c1.
What is the InChIKey of 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid?
The InChIKey is SLZGYDHWMAPFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-5-3-6-11(9-10)12-7-4-8-13-14(12)17-18(2)15(13)16(19)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid?
2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid is sourced from PubChem (CID 68614458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).