1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid

C11H16N2O2 — CID 58559069

IUPAC1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CC(C)(C)CC2
InChIInChI=1S/C11H16N2O2/c1-11(2)5-4-7-8(6-11)13(3)12-9(7)10(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyXFHSCNOSXYOIBH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.63
Rot. Bonds1

About 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid

1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 58559069) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID58559069
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CC(C)(C)CC2
InChIInChI=1S/C11H16N2O2/c1-11(2)5-4-7-8(6-11)13(3)12-9(7)10(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyXFHSCNOSXYOIBH-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 58559069) is 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CC(C)(C)CC2.
What is the InChIKey of 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is XFHSCNOSXYOIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2)5-4-7-8(6-11)13(3)12-9(7)10(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 58559069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).