(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid

C12H18N2O2 — CID 95933700

IUPAC(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
SMILESCC(C)(C)c1n[nH]c2c1CC[C@@H](C(=O)O)C2
InChIInChI=1S/C12H18N2O2/c1-12(2,3)10-8-5-4-7(11(15)16)6-9(8)13-14-10/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyWXNGVIHOVOYCLF-SSDOTTSWSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds1

About (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid

(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid (PubChem CID 95933700) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
PubChem CID95933700
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
SMILESCC(C)(C)c1n[nH]c2c1CC[C@@H](C(=O)O)C2
InChIInChI=1S/C12H18N2O2/c1-12(2,3)10-8-5-4-7(11(15)16)6-9(8)13-14-10/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyWXNGVIHOVOYCLF-SSDOTTSWSA-N
XLogP1.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
The IUPAC name of (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid (CID 95933700) is (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid.
What is the SMILES notation for (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
The canonical SMILES for (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid is CC(C)(C)c1n[nH]c2c1CC[C@@H](C(=O)O)C2.
What is the InChIKey of (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
The InChIKey is WXNGVIHOVOYCLF-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)10-8-5-4-7(11(15)16)6-9(8)13-14-10/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
(6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 95933700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).