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

C8H10N2O3 — CID 82407998

IUPAC7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESO=C(O)C1(O)CCCc2cn[nH]c21
InChIInChI=1S/C8H10N2O3/c11-7(12)8(13)3-1-2-5-4-9-10-6(5)8/h4,13H,1-3H2,(H,9,10)(H,11,12)
InChIKeyPAIKFEHSYAXWFY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.02
Rot. Bonds1

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

7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid (PubChem CID 82407998) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
PubChem CID82407998
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESO=C(O)C1(O)CCCc2cn[nH]c21
InChIInChI=1S/C8H10N2O3/c11-7(12)8(13)3-1-2-5-4-9-10-6(5)8/h4,13H,1-3H2,(H,9,10)(H,11,12)
InChIKeyPAIKFEHSYAXWFY-UHFFFAOYSA-N
XLogP0.02
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid hydrochloride
CID 132353812
7-hydroxy-2-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 82399795
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
2-(7-Hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83907954
7-hydroxy-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 83907959
3-Bromo-7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 83913358
5-Methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 86811744
(7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 96633158
(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 96633159
(5S,7R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 98010822
(5R,7R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 98010823

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid (CID 82407998) is 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid is O=C(O)C1(O)CCCc2cn[nH]c21.
What is the InChIKey of 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The InChIKey is PAIKFEHSYAXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7(12)8(13)3-1-2-5-4-9-10-6(5)8/h4,13H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 82407998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).