2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid

C8H10N2O2 — CID 22402956

IUPAC2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)C1=CC2CNNC2C=C1
InChIInChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-3,6-7,9-10H,4H2,(H,11,12)
InChIKeyRHDOYJIFRNTXRF-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.34
Rot. Bonds1

About 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid

2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid (PubChem CID 22402956) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid
PubChem CID22402956
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)C1=CC2CNNC2C=C1
InChIInChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-3,6-7,9-10H,4H2,(H,11,12)
InChIKeyRHDOYJIFRNTXRF-UHFFFAOYSA-N
XLogP-0.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid (CID 22402956) is 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid is O=C(O)C1=CC2CNNC2C=C1.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid?
The InChIKey is RHDOYJIFRNTXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-3,6-7,9-10H,4H2,(H,11,12).
What are the key properties of 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid?
2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22402956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).