3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

C11H16N2O2 — CID 83861907

IUPAC3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCCc1nn(C)c2c1C(C(=O)O)CCC2
InChIInChI=1S/C11H16N2O2/c1-3-8-10-7(11(14)15)5-4-6-9(10)13(2)12-8/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyVRZNVMVWPGYSBH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.49
Rot. Bonds2

About 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83861907) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83861907
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCCc1nn(C)c2c1C(C(=O)O)CCC2
InChIInChI=1S/C11H16N2O2/c1-3-8-10-7(11(14)15)5-4-6-9(10)13(2)12-8/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyVRZNVMVWPGYSBH-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride
CID 121552990
2-Methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]butanoic acid
CID 66874735
2-[1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591272

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83861907) is 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is CCc1nn(C)c2c1C(C(=O)O)CCC2.
What is the InChIKey of 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is VRZNVMVWPGYSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8-10-7(11(14)15)5-4-6-9(10)13(2)12-8/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83861907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).