5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid

C10H14N2O2 — CID 64592199

IUPAC5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCC1(C)CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C10H14N2O2/c1-10(2)4-3-7-6(5-10)8(9(13)14)12-11-7/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyISMDTJILBJJLPA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds1

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

5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 64592199) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID64592199
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCC1(C)CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C10H14N2O2/c1-10(2)4-3-7-6(5-10)8(9(13)14)12-11-7/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyISMDTJILBJJLPA-UHFFFAOYSA-N
XLogP1.62
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid (CID 64592199) is 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid is CC1(C)CCc2[nH]nc(C(=O)O)c2C1.
What is the InChIKey of 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is ISMDTJILBJJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2)4-3-7-6(5-10)8(9(13)14)12-11-7/h3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid?
5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 64592199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).