5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid

C13H20N2O2 — CID 130240334

IUPAC5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC(C)n1nc2c(c1C(=O)O)CC(C)(C)CC2
InChIInChI=1S/C13H20N2O2/c1-8(2)15-11(12(16)17)9-7-13(3,4)6-5-10(9)14-15/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyWXPVQHLNYUDIND-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.68
Rot. Bonds2

About 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid

5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 130240334) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID130240334
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC(C)n1nc2c(c1C(=O)O)CC(C)(C)CC2
InChIInChI=1S/C13H20N2O2/c1-8(2)15-11(12(16)17)9-7-13(3,4)6-5-10(9)14-15/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyWXPVQHLNYUDIND-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid (CID 130240334) is 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid is CC(C)n1nc2c(c1C(=O)O)CC(C)(C)CC2.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is WXPVQHLNYUDIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)15-11(12(16)17)9-7-13(3,4)6-5-10(9)14-15/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid?
5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 130240334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).