1,2-dimethyl-3H-indazole-5-carboxylic acid

C10H12N2O2 — CID 86308105

IUPAC1,2-dimethyl-3H-indazole-5-carboxylic acid
SMILESCN1Cc2cc(C(=O)O)ccc2N1C
InChIInChI=1S/C10H12N2O2/c1-11-6-8-5-7(10(13)14)3-4-9(8)12(11)2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyUPSOETHQMQNVOC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.18
Rot. Bonds1

About 1,2-dimethyl-3H-indazole-5-carboxylic acid

1,2-dimethyl-3H-indazole-5-carboxylic acid (PubChem CID 86308105) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,2-dimethyl-3H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-3H-indazole-5-carboxylic acid
PubChem CID86308105
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1,2-dimethyl-3H-indazole-5-carboxylic acid
SMILESCN1Cc2cc(C(=O)O)ccc2N1C
InChIInChI=1S/C10H12N2O2/c1-11-6-8-5-7(10(13)14)3-4-9(8)12(11)2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyUPSOETHQMQNVOC-UHFFFAOYSA-N
XLogP1.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11088185
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
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1-formyl-2,3-dihydroindole-5-carboxylic acid
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3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
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1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
CID 114200376
2-(2-carboxyethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163503
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
1-acetyl-2-(carboxymethyl)-4-methyl-3-oxo-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid
CID 18418893
1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711321
2-(3-methoxypropyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163455

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3H-indazole-5-carboxylic acid?
The IUPAC name of 1,2-dimethyl-3H-indazole-5-carboxylic acid (CID 86308105) is 1,2-dimethyl-3H-indazole-5-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-3H-indazole-5-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-3H-indazole-5-carboxylic acid is CN1Cc2cc(C(=O)O)ccc2N1C.
What is the InChIKey of 1,2-dimethyl-3H-indazole-5-carboxylic acid?
The InChIKey is UPSOETHQMQNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11-6-8-5-7(10(13)14)3-4-9(8)12(11)2/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 1,2-dimethyl-3H-indazole-5-carboxylic acid?
1,2-dimethyl-3H-indazole-5-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3H-indazole-5-carboxylic acid is sourced from PubChem (CID 86308105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).