(5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

C8H10N2O2 — CID 86330465

IUPAC(5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeySQOPSWGOYYFIGA-YFKPBYRVSA-N
MW166.18 g/mol
LogP0.60
Rot. Bonds1

About (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

(5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid (PubChem CID 86330465) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
PubChem CID86330465
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeySQOPSWGOYYFIGA-YFKPBYRVSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The IUPAC name of (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid (CID 86330465) is (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The canonical SMILES for (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid is O=C(O)[C@H]1CCc2[nH]ncc2C1.
What is the InChIKey of (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The InChIKey is SQOPSWGOYYFIGA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
(5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 86330465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).