4-methyl-3-oxo-1H-indazole-2-carboxylic acid

C9H8N2O3 — CID 91585516

IUPAC4-methyl-3-oxo-1H-indazole-2-carboxylic acid
SMILESCc1cccc2[nH]n(C(=O)O)c(=O)c12
InChIInChI=1S/C9H8N2O3/c1-5-3-2-4-6-7(5)8(12)11(10-6)9(13)14/h2-4,10H,1H3,(H,13,14)
InChIKeyXJPFNOBOBVAZEW-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.16
Rot. Bonds

About 4-methyl-3-oxo-1H-indazole-2-carboxylic acid

4-methyl-3-oxo-1H-indazole-2-carboxylic acid (PubChem CID 91585516) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-methyl-3-oxo-1H-indazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-oxo-1H-indazole-2-carboxylic acid
PubChem CID91585516
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-methyl-3-oxo-1H-indazole-2-carboxylic acid
SMILESCc1cccc2[nH]n(C(=O)O)c(=O)c12
InChIInChI=1S/C9H8N2O3/c1-5-3-2-4-6-7(5)8(12)11(10-6)9(13)14/h2-4,10H,1H3,(H,13,14)
InChIKeyXJPFNOBOBVAZEW-UHFFFAOYSA-N
XLogP1.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid
CID 11245135
5-methyl-3-propyl-1H-quinazoline-2,4-dione
CID 117261036
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
2-[(2-butyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid
CID 11440421
2-[(5-fluoro-2-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid
CID 11290839
4-methyl-1,2-dihydroindazol-3-one
CID 24728231
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661
8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 82393897
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
CID 22971523
(3-amino-4-methylindol-1-yl)-phenylmethanone
CID 101141428
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-1H-indazole-2-carboxylic acid?
The IUPAC name of 4-methyl-3-oxo-1H-indazole-2-carboxylic acid (CID 91585516) is 4-methyl-3-oxo-1H-indazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-oxo-1H-indazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-oxo-1H-indazole-2-carboxylic acid is Cc1cccc2[nH]n(C(=O)O)c(=O)c12.
What is the InChIKey of 4-methyl-3-oxo-1H-indazole-2-carboxylic acid?
The InChIKey is XJPFNOBOBVAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-3-2-4-6-7(5)8(12)11(10-6)9(13)14/h2-4,10H,1H3,(H,13,14).
What are the key properties of 4-methyl-3-oxo-1H-indazole-2-carboxylic acid?
4-methyl-3-oxo-1H-indazole-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-1H-indazole-2-carboxylic acid is sourced from PubChem (CID 91585516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).