2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid

C10H14N2O3 — CID 83909528

IUPAC2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(O)(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O3/c1-6-9-7(12-11-6)3-2-4-10(9,15)5-8(13)14/h15H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyRFFBFCROHCMVCD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.72
Rot. Bonds2

About 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid

2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid (PubChem CID 83909528) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid
PubChem CID83909528
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(O)(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O3/c1-6-9-7(12-11-6)3-2-4-10(9,15)5-8(13)14/h15H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyRFFBFCROHCMVCD-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
CID 21258063
3-ethyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 82401228
2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid
CID 82591673
2-(3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82591675
2-(3-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82591677
2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82591682
3-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
CID 83858849
2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 83863576
2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83907955
2-(4-Hydroxy-1,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83907956

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid (CID 83909528) is 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid is Cc1[nH]nc2c1C(O)(CC(=O)O)CCC2.
What is the InChIKey of 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The InChIKey is RFFBFCROHCMVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-9-7(12-11-6)3-2-4-10(9,15)5-8(13)14/h15H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid?
2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid is sourced from PubChem (CID 83909528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).