3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid

C12H10N4O2 — CID 39220149

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
SMILESCc1[nH]ncc1-c1n[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C12H10N4O2/c1-6-9(5-13-14-6)11-8-3-2-7(12(17)18)4-10(8)15-16-11/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyVCCBLLLMCSBEON-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.96
Rot. Bonds2

About 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid

3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid (PubChem CID 39220149) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
PubChem CID39220149
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
SMILESCc1[nH]ncc1-c1n[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C12H10N4O2/c1-6-9(5-13-14-6)11-8-3-2-7(12(17)18)4-10(8)15-16-11/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyVCCBLLLMCSBEON-UHFFFAOYSA-N
XLogP1.96
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid (CID 39220149) is 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid is Cc1[nH]ncc1-c1n[nH]c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid?
The InChIKey is VCCBLLLMCSBEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-6-9(5-13-14-6)11-8-3-2-7(12(17)18)4-10(8)15-16-11/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid?
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid has a molecular weight of 242.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39220149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).