2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid

C9H12N2O3 — CID 83907954

IUPAC2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
SMILESO=C(O)CC1(O)CCCc2cn[nH]c21
InChIInChI=1S/C9H12N2O3/c12-7(13)4-9(14)3-1-2-6-5-10-11-8(6)9/h5,14H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYUMUYKKHMLEXFX-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.41
Rot. Bonds2

About 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid

2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid (PubChem CID 83907954) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
PubChem CID83907954
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
SMILESO=C(O)CC1(O)CCCc2cn[nH]c21
InChIInChI=1S/C9H12N2O3/c12-7(13)4-9(14)3-1-2-6-5-10-11-8(6)9/h5,14H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYUMUYKKHMLEXFX-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-7-yl)acetic acid
CID 82409068
4-cyclohexyl-1H-pyrazole-5-carboxylic acid
CID 82372850
7-Hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 82407998
7-(Aminomethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83905565
7-(2-Aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83906524
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid
CID 83907719
2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
CID 83909526
2-(7-hydroxy-2-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
CID 83909527
2-(3-Bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83913830
7-Hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 112715478
7-hydroxyspiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid
CID 112716180
2-[7-(Aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid
CID 112716308

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid (CID 83907954) is 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid is O=C(O)CC1(O)CCCc2cn[nH]c21.
What is the InChIKey of 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The InChIKey is YUMUYKKHMLEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7(13)4-9(14)3-1-2-6-5-10-11-8(6)9/h5,14H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
2-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-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-(7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid is sourced from PubChem (CID 83907954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).