2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid

C9H12N2O3 — CID 83863576

IUPAC2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-5-9(7)6(11-10-5)4-8(13)14/h7,12H,1-4H2,(H,10,11)(H,13,14)
InChIKeySBPJWJOLGUWROQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.41
Rot. Bonds2

About 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid

2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid (PubChem CID 83863576) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
PubChem CID83863576
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-5-9(7)6(11-10-5)4-8(13)14/h7,12H,1-4H2,(H,10,11)(H,13,14)
InChIKeySBPJWJOLGUWROQ-UHFFFAOYSA-N
XLogP0.41
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.41
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
2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 165675172
5-hydroxy-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 70333230
6-hydroxy-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 117912496
3-(Hydroxymethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 72942814
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 82407932
4-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858814
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 83858819
2-Methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 83858820
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 83858844
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
CID 83858845
2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 83858847

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid (CID 83863576) is 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid is O=C(O)Cc1n[nH]c2c1C(O)CCC2.
What is the InChIKey of 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid?
The InChIKey is SBPJWJOLGUWROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-3-1-2-5-9(7)6(11-10-5)4-8(13)14/h7,12H,1-4H2,(H,10,11)(H,13,14).
What are the key properties of 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid?
2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid is sourced from PubChem (CID 83863576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).