2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid

C20H21N3O4 — CID 11257130

IUPAC2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid
SMILESCCc1cccc(C)c1CNC(=O)n1c(=O)c2cccc(C(=O)O)c2n1C
InChIInChI=1S/C20H21N3O4/c1-4-13-8-5-7-12(2)16(13)11-21-20(27)23-18(24)14-9-6-10-15(19(25)26)17(14)22(23)3/h5-10H,4,11H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyWZTIZSXQUVXEGH-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.67
Rot. Bonds4

About 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid

2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid (PubChem CID 11257130) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid
PubChem CID11257130
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid
SMILESCCc1cccc(C)c1CNC(=O)n1c(=O)c2cccc(C(=O)O)c2n1C
InChIInChI=1S/C20H21N3O4/c1-4-13-8-5-7-12(2)16(13)11-21-20(27)23-18(24)14-9-6-10-15(19(25)26)17(14)22(23)3/h5-10H,4,11H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyWZTIZSXQUVXEGH-UHFFFAOYSA-N
XLogP2.67
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid?
The IUPAC name of 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid (CID 11257130) is 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid.
What is the SMILES notation for 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid?
The canonical SMILES for 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid is CCc1cccc(C)c1CNC(=O)n1c(=O)c2cccc(C(=O)O)c2n1C.
What is the InChIKey of 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid?
The InChIKey is WZTIZSXQUVXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-13-8-5-7-12(2)16(13)11-21-20(27)23-18(24)14-9-6-10-15(19(25)26)17(14)22(23)3/h5-10H,4,11H2,1-3H3,(H,21,27)(H,25,26).
What are the key properties of 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid?
2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid is sourced from PubChem (CID 11257130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).