1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid

C9H10N2O3 — CID 51072211

IUPAC1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCC(=O)C2
InChIInChI=1S/C9H10N2O3/c1-11-7-3-2-5(12)4-6(7)8(10-11)9(13)14/h2-4H2,1H3,(H,13,14)
InChIKeyBMCJAUHTKKJQCP-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.18
Rot. Bonds1

About 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid

1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 51072211) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID51072211
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCC(=O)C2
InChIInChI=1S/C9H10N2O3/c1-11-7-3-2-5(12)4-6(7)8(10-11)9(13)14/h2-4H2,1H3,(H,13,14)
InChIKeyBMCJAUHTKKJQCP-UHFFFAOYSA-N
XLogP0.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid (CID 51072211) is 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCC(=O)C2.
What is the InChIKey of 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is BMCJAUHTKKJQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-7-3-2-5(12)4-6(7)8(10-11)9(13)14/h2-4H2,1H3,(H,13,14).
What are the key properties of 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid?
1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 51072211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).