3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C10H14N2O3 — CID 83909534

IUPAC3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCCc1n[nH]c2c1C(O)(C(=O)O)CCC2
InChIInChI=1S/C10H14N2O3/c1-2-6-8-7(12-11-6)4-3-5-10(8,15)9(13)14/h15H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyOOOQLNCXIVVOPI-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.58
Rot. Bonds2

About 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid

3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83909534) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83909534
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCCc1n[nH]c2c1C(O)(C(=O)O)CCC2
InChIInChI=1S/C10H14N2O3/c1-2-6-8-7(12-11-6)4-3-5-10(8,15)9(13)14/h15H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyOOOQLNCXIVVOPI-UHFFFAOYSA-N
XLogP0.58
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid hydrochloride
CID 177800146
3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 73357528
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357530
4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 82591700
3-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861923
2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 83863576
4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906644
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
4-Amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83907787
4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83907960
4-Amino-3-ethyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83909322
2-(4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83909528

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83909534) is 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid is CCc1n[nH]c2c1C(O)(C(=O)O)CCC2.
What is the InChIKey of 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is OOOQLNCXIVVOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-6-8-7(12-11-6)4-3-5-10(8,15)9(13)14/h15H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83909534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).