4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C11H16N2O3 — CID 83911043

IUPAC4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC(C)c1n[nH]c2c1C(O)(C(=O)O)CCC2
InChIInChI=1S/C11H16N2O3/c1-6(2)9-8-7(12-13-9)4-3-5-11(8,16)10(14)15/h6,16H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDSSAOIRGEAPJQY-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.14
Rot. Bonds2

About 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid

4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83911043) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83911043
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC(C)c1n[nH]c2c1C(O)(C(=O)O)CCC2
InChIInChI=1S/C11H16N2O3/c1-6(2)9-8-7(12-13-9)4-3-5-11(8,16)10(14)15/h6,16H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDSSAOIRGEAPJQY-UHFFFAOYSA-N
XLogP1.14
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.14
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
(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7309594
(4S,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7309596
(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7309598
(4S,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7309600
7-Isopropyl-4-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 11842370
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
3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357531
3-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
CID 83858849
3-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861923
3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861933

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83911043) is 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid is CC(C)c1n[nH]c2c1C(O)(C(=O)O)CCC2.
What is the InChIKey of 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is DSSAOIRGEAPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)9-8-7(12-13-9)4-3-5-11(8,16)10(14)15/h6,16H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83911043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).