2,4-dihydro-1H-indazole-3-carboxylic acid

C8H8N2O2 — CID 141444850

IUPAC2,4-dihydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NN1
InChIInChI=1S/C8H8N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-2,4,9-10H,3H2,(H,11,12)
InChIKeyBXMOXZRMBMWLOV-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.28
Rot. Bonds1

About 2,4-dihydro-1H-indazole-3-carboxylic acid

2,4-dihydro-1H-indazole-3-carboxylic acid (PubChem CID 141444850) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,4-dihydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dihydro-1H-indazole-3-carboxylic acid
PubChem CID141444850
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2,4-dihydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NN1
InChIInChI=1S/C8H8N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-2,4,9-10H,3H2,(H,11,12)
InChIKeyBXMOXZRMBMWLOV-UHFFFAOYSA-N
XLogP0.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 2,4-dihydro-1H-indazole-3-carboxylic acid (CID 141444850) is 2,4-dihydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 2,4-dihydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 2,4-dihydro-1H-indazole-3-carboxylic acid is O=C(O)C1=C2CC=CC=C2NN1.
What is the InChIKey of 2,4-dihydro-1H-indazole-3-carboxylic acid?
The InChIKey is BXMOXZRMBMWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-2,4,9-10H,3H2,(H,11,12).
What are the key properties of 2,4-dihydro-1H-indazole-3-carboxylic acid?
2,4-dihydro-1H-indazole-3-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 141444850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).