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

C8H10N2O2 — CID 648852

IUPAC4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKeyLWXNHFZBFJMHGU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.99
Rot. Bonds1

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

4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 648852) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID648852
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKeyLWXNHFZBFJMHGU-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 648852) is 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is LWXNHFZBFJMHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 648852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).