(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid

C8H10N2O2 — CID 96633159

IUPAC(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
SMILESO=C(O)[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C8H10N2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h4,6H,1-3H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyGILJNJPONUGIHM-LURJTMIESA-N
MW166.18 g/mol
LogP0.91
Rot. Bonds1

About (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid

(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid (PubChem CID 96633159) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
PubChem CID96633159
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
SMILESO=C(O)[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C8H10N2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h4,6H,1-3H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyGILJNJPONUGIHM-LURJTMIESA-N
XLogP0.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 55279075
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 71756054
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylicacid
CID 83414589
2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylic acid
CID 83875405

Frequently Asked Questions

What is the IUPAC name of (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
The IUPAC name of (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid (CID 96633159) is (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid.
What is the SMILES notation for (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
The canonical SMILES for (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid is O=C(O)[C@H]1CCCc2cn[nH]c21.
What is the InChIKey of (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
The InChIKey is GILJNJPONUGIHM-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h4,6H,1-3H2,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
(7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 96633159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).