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

C8H10N2O2 — CID 95566509

IUPAC(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVMJCCYRJNABUBO-YFKPBYRVSA-N
MW166.18 g/mol
LogP0.60
Rot. Bonds1

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

(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid (PubChem CID 95566509) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
PubChem CID95566509
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVMJCCYRJNABUBO-YFKPBYRVSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129322075
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride
CID 120741794
N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 86785947
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
CID 126821504
[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 127688943
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 99996671
N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 136566343
N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 102559373
methyl (2S)-2-(3,5-dimethylphenyl)-2-[[(6R)-4,5,6,7-tetrahydro-1H-indazole-6-carbonyl]amino]acetate
CID 124884147
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924

Frequently Asked Questions

What is the IUPAC name of (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
The IUPAC name of (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid (CID 95566509) is (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid.
What is the SMILES notation for (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
The canonical SMILES for (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid is O=C(O)[C@H]1CCc2cn[nH]c2C1.
What is the InChIKey of (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
The InChIKey is VMJCCYRJNABUBO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid?
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 95566509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).