3-methyl-1-propan-2-ylindazole-6-carboxylic acid

C12H14N2O2 — CID 84724341

IUPAC3-methyl-1-propan-2-ylindazole-6-carboxylic acid
SMILESCc1nn(C(C)C)c2cc(C(=O)O)ccc12
InChIInChI=1S/C12H14N2O2/c1-7(2)14-11-6-9(12(15)16)4-5-10(11)8(3)13-14/h4-7H,1-3H3,(H,15,16)
InChIKeyUELPXTTVJUWJMJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.62
Rot. Bonds2

About 3-methyl-1-propan-2-ylindazole-6-carboxylic acid

3-methyl-1-propan-2-ylindazole-6-carboxylic acid (PubChem CID 84724341) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylindazole-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylindazole-6-carboxylic acid
PubChem CID84724341
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-methyl-1-propan-2-ylindazole-6-carboxylic acid
SMILESCc1nn(C(C)C)c2cc(C(=O)O)ccc12
InChIInChI=1S/C12H14N2O2/c1-7(2)14-11-6-9(12(15)16)4-5-10(11)8(3)13-14/h4-7H,1-3H3,(H,15,16)
InChIKeyUELPXTTVJUWJMJ-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-fluoroethyl)-1-methylindazole-6-carboxylic acid
CID 84687432
1-propan-2-yl-3-(trifluoromethyl)indazole-5-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole-5-carboxylic acid
CID 175374847
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 83946617
4-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzoic acid
CID 65347629
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370
2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944287
3-hydroxy-4-(2-propan-2-yl-1,2,4-triazol-3-yl)benzoic acid
CID 136933981
ethane-1,1-diol;terephthalic acid
CID 68971815
3-bromoindazole-1,6-dicarboxylic acid
CID 123994714
4-fluoro-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 114020663
3-(4-methylpentan-2-yl)benzotriazole-5-carboxylic acid
CID 82784687
3-butan-2-ylbenzotriazole-5-carboxylic acid
CID 82784400

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylindazole-6-carboxylic acid?
The IUPAC name of 3-methyl-1-propan-2-ylindazole-6-carboxylic acid (CID 84724341) is 3-methyl-1-propan-2-ylindazole-6-carboxylic acid.
What is the SMILES notation for 3-methyl-1-propan-2-ylindazole-6-carboxylic acid?
The canonical SMILES for 3-methyl-1-propan-2-ylindazole-6-carboxylic acid is Cc1nn(C(C)C)c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-methyl-1-propan-2-ylindazole-6-carboxylic acid?
The InChIKey is UELPXTTVJUWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(2)14-11-6-9(12(15)16)4-5-10(11)8(3)13-14/h4-7H,1-3H3,(H,15,16).
What are the key properties of 3-methyl-1-propan-2-ylindazole-6-carboxylic acid?
3-methyl-1-propan-2-ylindazole-6-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylindazole-6-carboxylic acid is sourced from PubChem (CID 84724341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).